(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol

C15H18N2O — CID 95034913

IUPAC(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol
SMILESCc1cc2ccccc2nc1N1CCC[C@H](O)C1
InChIInChI=1S/C15H18N2O/c1-11-9-12-5-2-3-7-14(12)16-15(11)17-8-4-6-13(18)10-17/h2-3,5,7,9,13,18H,4,6,8,10H2,1H3/t13-/m0/s1
InChIKeyFSSBVUYWQKWYRE-ZDUSSCGKSA-N
MW242.32 g/mol
LogP2.50
Rot. Bonds1

About (3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol

(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol (PubChem CID 95034913) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol
PubChem CID95034913
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol
SMILESCc1cc2ccccc2nc1N1CCC[C@H](O)C1
InChIInChI=1S/C15H18N2O/c1-11-9-12-5-2-3-7-14(12)16-15(11)17-8-4-6-13(18)10-17/h2-3,5,7,9,13,18H,4,6,8,10H2,1H3/t13-/m0/s1
InChIKeyFSSBVUYWQKWYRE-ZDUSSCGKSA-N
XLogP2.50
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(3-methylquinolin-2-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-methylquinolin-2-yl)piperidin-3-ol?
The IUPAC name of (3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol (CID 95034913) is (3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol is Cc1cc2ccccc2nc1N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol?
The InChIKey is FSSBVUYWQKWYRE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-9-12-5-2-3-7-14(12)16-15(11)17-8-4-6-13(18)10-17/h2-3,5,7,9,13,18H,4,6,8,10H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol?
(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol has a molecular weight of 242.32 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol is sourced from PubChem (CID 95034913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).