(3S)-1-(3-chloro-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

C15H20ClN5O — CID 129483018

IUPAC(3S)-1-(3-chloro-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCC(C)n1cc([C@]2(O)CCCN(c3ccncc3Cl)C2)nn1
InChIInChI=1S/C15H20ClN5O/c1-11(2)21-9-14(18-19-21)15(22)5-3-7-20(10-15)13-4-6-17-8-12(13)16/h4,6,8-9,11,22H,3,5,7,10H2,1-2H3/t15-/m0/s1
InChIKeyPAGVJRNIBCAYKW-HNNXBMFYSA-N
MW321.81 g/mol
LogP2.40
Rot. Bonds3

About (3S)-1-(3-chloro-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

(3S)-1-(3-chloro-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (PubChem CID 129483018) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is (3S)-1-(3-chloro-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(3-chloro-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
PubChem CID129483018
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name(3S)-1-(3-chloro-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCC(C)n1cc([C@]2(O)CCCN(c3ccncc3Cl)C2)nn1
InChIInChI=1S/C15H20ClN5O/c1-11(2)21-9-14(18-19-21)15(22)5-3-7-20(10-15)13-4-6-17-8-12(13)16/h4,6,8-9,11,22H,3,5,7,10H2,1-2H3/t15-/m0/s1
InChIKeyPAGVJRNIBCAYKW-HNNXBMFYSA-N
XLogP2.40
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-(3-chloro-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chloro-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The IUPAC name of (3S)-1-(3-chloro-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (CID 129483018) is (3S)-1-(3-chloro-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(3-chloro-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(3-chloro-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is CC(C)n1cc([C@]2(O)CCCN(c3ccncc3Cl)C2)nn1.
What is the InChIKey of (3S)-1-(3-chloro-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The InChIKey is PAGVJRNIBCAYKW-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-11(2)21-9-14(18-19-21)15(22)5-3-7-20(10-15)13-4-6-17-8-12(13)16/h4,6,8-9,11,22H,3,5,7,10H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-1-(3-chloro-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
(3S)-1-(3-chloro-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol has a molecular weight of 321.81 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chloro-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 129483018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).