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CAS 221532-96-3 1-N-BOC-4-(4-AMINOBENZYL) PIPERIDINE molecular structure lightbox
CAS RN: 221532-96-3

1-N-BOC-4-(4-AMINOBENZYL) PIPERIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250817 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-106577
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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 221532-96-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

221532-96-3 / tert-butyl 4-[(4-aminophenyl)methyl]piperidine-1-carboxylate

Standard CAS: 221532-96-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221532-96-3
Multi CAS
No
Molecular Formula
C17H26N2O2
Molecular Weight
290.400000
Exact Mass
290.199428
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CC2=CC=C(C=C2)N
InChI
InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-10-8-14(9-11-19)12-13-4-6-15(18)7-5-13/h4-7,14H,8-12,18H2,1-3H3
InChIKey
TYSWJDYRGCLWNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
85.09
TPSA
55.56

LogP / Solubility

WLOGP
3.46
MLOGP
3.05
XLogP3
3.1
Consensus LogP
3.2
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04

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
Yes
Synthetic Accessibility
2.5

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