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CAS 1355171-47-9 TERT-BUTYL 4-(3-HYDROXYPYRROLIDIN-1-YL)PIPERIDINE-1-CARBOXYLATE molecular structure lightbox
CAS RN: 1355171-47-9

TERT-BUTYL 4-(3-HYDROXYPYRROLIDIN-1-YL)PIPERIDINE-1-CARBOXYLATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260330 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1355171-47-9
  • Purity/Analytical Methods: >99.0%
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1355171-47-9 / tert-butyl 4-(3-hydroxypyrrolidin-1-yl)piperidine-1-carboxylate

Standard CAS: 1355171-47-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1355171-47-9
Multi CAS
No
Molecular Formula
C14H26N2O3
Molecular Weight
270.370000
Exact Mass
270.194343
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2CCC(C2)O
InChI
InChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)15-7-4-11(5-8-15)16-9-6-12(17)10-16/h11-12,17H,4-10H2,1-3H3
InChIKey
IDDRBVPPJZMTDZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.03
TPSA
53.01

LogP / Solubility

WLOGP
1.45
MLOGP
1.29
XLogP3
1.2
Consensus LogP
1.31
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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