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CAS 1198286-87-1 TERT-BUTYL 4-(4-(AMINOMETHYL)PHENYL)PIPERIDINE-1-CARBOXYLATE molecular structure lightbox
CAS RN: 1198286-87-1

TERT-BUTYL 4-(4-(AMINOMETHYL)PHENYL)PIPERIDINE-1-CARBOXYLATE

  • Product code: SSC-020605
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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 1198286-87-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1198286-87-1 / tert-butyl 4-[4-(aminomethyl)phenyl]piperidine-1-carboxylate

tert-butyl 4-(4-(aminomethyl)phenyl)piperidine-1-carboxylate | 1-Piperidinecarboxylic acid, 4-[4-(aminomethyl)phenyl]-, 1,1-dimethylethyl ester | tert-butyl 4-[4-(aminomethyl)phenyl]piperidine-1-carboxylate

Standard CAS: 1198286-87-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1198286-87-1
Multi CAS
No
Molecular Formula
C17H26N2O2
Molecular Weight
290.400000
Exact Mass
290.199428
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=C(C=C2)CN
InChI
InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-10-8-15(9-11-19)14-6-4-13(12-18)5-7-14/h4-7,15H,8-12,18H2,1-3H3
InChIKey
HYMOUIWPYPKURO-UHFFFAOYSA-N
Synonyms
tert-butyl 4-(4-(aminomethyl)phenyl)piperidine-1-carboxylate 1-Piperidinecarboxylic acid, 4-[4-(aminomethyl)phenyl]-, 1,1-dimethylethyl ester tert-butyl 4-[4-(aminomethyl)phenyl]piperidine-1-carboxylate MFCD09038246 starbld0019615

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
84.12
TPSA
55.56

LogP / Solubility

WLOGP
3.26
MLOGP
2.88
XLogP3
2.2
Consensus LogP
2.78
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
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)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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