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CAS 669713-56-8 3-AMINOMETHYL-1-N-FMOC-PIPERIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 669713-56-8

3-AMINOMETHYL-1-N-FMOC-PIPERIDINE HYDROCHLORIDE

  • Product code: SSC-176614
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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: ＞97%
  • 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 669713-56-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

669713-56-8 / 9H-fluoren-9-ylmethyl 3-(aminomethyl)piperidine-1-carboxylate;hydrochloride

Standard CAS: 669713-56-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
669713-56-8
Multi CAS
No
Molecular Formula
C21H25CLN2O2
Molecular Weight
372.900000
Exact Mass
372.160456
InChI
InChI=1S/C21H24N2O2.ClH/c22-12-15-6-5-11-23(13-15)21(24)25-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20;/h1-4,7-10,15,20H,5-6,11-14,22H2;1H
InChIKey
FJXCUFDCDDVCDG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
105.67
TPSA
55.56

LogP / Solubility

WLOGP
4.03
MLOGP
3.57
XLogP3
4.03
Consensus LogP
3.88
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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