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CAS 13725-02-5 3-AMINO-1-BENZYL-PIPERIDINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 13725-02-5

3-AMINO-1-BENZYL-PIPERIDINE-3-CARBOXYLIC ACID

  • Product code: SSC-046700
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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 13725-02-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

13725-02-5 / 3-amino-1-benzylpiperidine-3-carboxylic acid

Standard CAS: 13725-02-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13725-02-5
Multi CAS
No
Molecular Formula
C13H18N2O2
Molecular Weight
234.290000
Exact Mass
234.136828
SMILES
C1CC(CN(C1)CC2=CC=CC=C2)(C(=O)O)N
InChI
InChI=1S/C13H18N2O2/c14-13(12(16)17)7-4-8-15(10-13)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2,(H,16,17)
InChIKey
SIHICTGIUNQECV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.51
TPSA
66.56

LogP / Solubility

WLOGP
1.06
MLOGP
0.94
XLogP3
-1.5
Consensus LogP
0.17
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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