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CAS 1376609-34-5 cis-(3-fluoro-piperidin-4-yl)methyl-carbamic acid tert-butyl ester molecular structure lightbox
CAS RN: 1376609-34-5

cis-(3-fluoro-piperidin-4-yl)methyl-carbamic acid tert-butyl ester

  • Product code: SSC-047364
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1376609-34-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Shanghai Inquiry

1376609-34-5 / tert-butyl N-[(3S,4R)-3-fluoropiperidin-4-yl]-N-methylcarbamate

Standard CAS: 1376609-34-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1376609-34-5
Multi CAS
No
Molecular Formula
C11H21FN2O2
Molecular Weight
232.290000
Exact Mass
232.158706
SMILES
CC(C)(C)OC(=O)N(C)[C@@H]1CCNC[C@@H]1F
InChI
InChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14(4)9-5-6-13-7-8(9)12/h8-9,13H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKey
VGCKWWMMIKCCKU-DTWKUNHWSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.17
TPSA
41.57

LogP / Solubility

WLOGP
1.55
MLOGP
1.37
XLogP3
1.3
Consensus LogP
1.41
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-3.03

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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