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CAS 1187930-99-9 tert-butyl 4-(4-aMinophenyl)piperazine-1-carboxylate dihydrochloride molecular structure lightbox
CAS RN: 1187930-99-9

tert-butyl 4-(4-aMinophenyl)piperazine-1-carboxylate dihydrochloride

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260303 1g In stock Shanghai Inquiry
Batchno.20260524 25g In stock Shanghai Inquiry
Batchno.20251114 5g In stock Shanghai Inquiry
  • Product code: SSC-018838
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1187930-99-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1187930-99-9 / tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;dihydrochloride

1-Boc-4-(4-Aminophenyl)piperazine dihydrochloride | 1-BOC-4-(4-AMINO-PHENYL)-PIPERAZINE DIHYDROCHLORIDE | TERT-BUTYL 4-(4-AMINOPHENYL)PIPERAZINE-1-CARBOXYLATE DIHYDROCHLORIDE

Standard CAS: 1187930-99-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1187930-99-9
Multi CAS
Yes
Molecular Formula
C15H25Cl2N3O2
Molecular Weight
350.300000
Exact Mass
349.132382
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)N.Cl.Cl
InChI
InChI=1S/C15H23N3O2.2ClH/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13;;/h4-7H,8-11,16H2,1-3H3;2*1H
InChIKey
RXLNINVLZWODOG-UHFFFAOYSA-N
Synonyms
1-Boc-4-(4-Aminophenyl)piperazine dihydrochloride 1-BOC-4-(4-AMINO-PHENYL)-PIPERAZINE DIHYDROCHLORIDE TERT-BUTYL 4-(4-AMINOPHENYL)PIPERAZINE-1-CARBOXYLATE DIHYDROCHLORIDE MFCD06804521 C15H25Cl2N3O2

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
95.37
TPSA
58.8

LogP / Solubility

WLOGP
3.17
MLOGP
2.81
XLogP3
3.17
Consensus LogP
3.05
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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