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CAS 1207853-15-3 1-Piperidinecarboxylic acid, 3-aMino-4-fluoro-, phenylMethyl ester, (3R,4R)-rel- molecular structure lightbox
CAS RN: 1207853-15-3

1-Piperidinecarboxylic acid, 3-aMino-4-fluoro-, phenylMethyl ester, (3R,4R)-rel-

  • Product code: SSC-022041
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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 1207853-15-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1207853-15-3 / benzyl (3R,4R)-3-amino-4-fluoropiperidine-1-carboxylate

(3R,4R)-rel-Benzyl 3-amino-4-fluoropiperidine-1-carboxylate | Benzyl (3R,4R)-3-amino-4-fluoro-piperidine-1-carboxylate | trans-1-cbz-4-fluoro-3-piperidinamine

Standard CAS: 1207853-15-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1207853-15-3
Multi CAS
Yes
Molecular Formula
C13H17FN2O2
Molecular Weight
252.280000
Exact Mass
252.127406
SMILES
C1CN(C[C@H]([C@@H]1F)N)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H17FN2O2/c14-11-6-7-16(8-12(11)15)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9,15H2/t11-,12-/m1/s1
InChIKey
JREMPGXODKGFEJ-VXGBXAGGSA-N
Synonyms
(3R,4R)-rel-Benzyl 3-amino-4-fluoropiperidine-1-carboxylate Benzyl (3R,4R)-3-amino-4-fluoro-piperidine-1-carboxylate trans-1-cbz-4-fluoro-3-piperidinamine benzyl trans-3-amino-4-fluoropiperidine-1-carboxylate rel-benzyl (3r,4r)-3-amino-4-fluoropiperidine-1-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.69
TPSA
55.56

LogP / Solubility

WLOGP
1.69
MLOGP
1.5
XLogP3
1.3
Consensus LogP
1.5
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06

Drug-likeness / Medicinal Chemistry

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

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