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CAS 103824-89-1 benzyl piperidine-4-carboxylate molecular structure lightbox
CAS RN: 103824-89-1

benzyl piperidine-4-carboxylate

  • Product code: SSC-005422
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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 103824-89-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

103824-89-1 / benzyl piperidine-4-carboxylate

4-Piperidinecarboxylic acid, phenylmethyl ester | DTXSID80465092 | RefChem:295662

Standard CAS: 103824-89-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
103824-89-1
Multi CAS
No
Molecular Formula
C13H17NO2
Molecular Weight
219.280000
Exact Mass
219.125929
SMILES
C1CNCCC1C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H17NO2/c15-13(12-6-8-14-9-7-12)16-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChIKey
BLBHAAHASZMYPI-UHFFFAOYSA-N
Synonyms
4-Piperidinecarboxylic acid, phenylmethyl ester DTXSID80465092 RefChem:295662 DTXCID80415911 Benzyl Piperidine-4-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.83
TPSA
38.33

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
1.6
Consensus LogP
1.62
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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