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CAS 1001397-31-4 1-(5-Fluoro-pyrimidin-2-yl)-piperidin-4-ol molecular structure lightbox
CAS RN: 1001397-31-4

1-(5-Fluoro-pyrimidin-2-yl)-piperidin-4-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260206 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1001397-31-4
  • Purity/Analytical Methods: >99.0%
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1001397-31-4 / 1-(5-fluoropyrimidin-2-yl)piperidin-4-ol

1-(5-fluoropyrimidin-2-yl)piperidin-4-ol | 4-Piperidinol, 1-(5-fluoro-2-pyrimidinyl)- | SCHEMBL3929507

Standard CAS: 1001397-31-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1001397-31-4
Multi CAS
No
Molecular Formula
C9H12FN3O
Molecular Weight
197.210000
Exact Mass
197.096440
SMILES
C1CN(CCC1O)C2=NC=C(C=N2)F
InChI
InChI=1S/C9H12FN3O/c10-7-5-11-9(12-6-7)13-3-1-8(14)2-4-13/h5-6,8,14H,1-4H2
InChIKey
AKSSRPFRLMFAOV-UHFFFAOYSA-N
Synonyms
1-(5-fluoropyrimidin-2-yl)piperidin-4-ol 4-Piperidinol, 1-(5-fluoro-2-pyrimidinyl)- SCHEMBL3929507 SBB075805 AKOS015939757

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.44
TPSA
49.25

LogP / Solubility

WLOGP
0.58
MLOGP
0.51
XLogP3
0.6
Consensus LogP
0.56
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
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)
-3.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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