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CAS 1207853-72-2 1-Piperidinecarboxylic acid, 5-aMino-2-Methyl-, phenylMethyl est molecular structure lightbox
CAS RN: 1207853-72-2

1-Piperidinecarboxylic acid, 5-aMino-2-Methyl-, phenylMethyl est

  • Product code: SSC-022051
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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: 0.25g
  • 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 1207853-72-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1207853-72-2 / benzyl (2R,5R)-5-amino-2-methylpiperidine-1-carboxylate

benzyl 5-amino-2-methylpiperidine-1-carboxylate | MFCD19688555 | SCHEMBL15758178

Standard CAS: 1207853-72-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1207853-72-2
Multi CAS
Yes
Molecular Formula
C14H20N2O2
Molecular Weight
248.320000
Exact Mass
248.152478
SMILES
C[C@@H]1CC[C@H](CN1C(=O)OCC2=CC=CC=C2)N
InChI
InChI=1S/C14H20N2O2/c1-11-7-8-13(15)9-16(11)14(17)18-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10,15H2,1H3/t11-,13-/m1/s1
InChIKey
MWKAMUJIXBCKIH-DGCLKSJQSA-N
Synonyms
benzyl 5-amino-2-methylpiperidine-1-carboxylate MFCD19688555 SCHEMBL15758178 MWKAMUJIXBCKIH-UHFFFAOYSA-N AKOS015900833

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70
TPSA
55.56

LogP / Solubility

WLOGP
2.13
MLOGP
1.88
XLogP3
1.7
Consensus LogP
1.9
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly 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)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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