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CAS 1376609-36-7 trans-(3-fluoro-piperidin-4-yl)methyl-carbamic acid tert-butyl ester molecular structure lightbox
CAS RN: 1376609-36-7

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

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250101 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1376609-36-7
  • Purity/Analytical Methods: >99.0%
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1376609-36-7 / tert-butyl N-[(3R,4R)-3-fluoropiperidin-4-yl]-N-methylcarbamate

Standard CAS: 1376609-36-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1376609-36-7
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-/m1/s1
InChIKey
VGCKWWMMIKCCKU-RKDXNWHRSA-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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