(S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride

C22H25ClN2O2 — CID 57385014

IUPAC(S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride
SMILESCOc1ccc(-c2cc([C@H](O)[C@H]3CCCCN3)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C22H24N2O2.ClH/c1-26-16-11-9-15(10-12-16)21-14-18(17-6-2-3-7-19(17)24-21)22(25)20-8-4-5-13-23-20;/h2-3,6-7,9-12,14,20,22-23,25H,4-5,8,13H2,1H3;1H/t20-,22+;/m1./s1
InChIKeyXDCQPCFYXQGEGY-LBPAWUGGSA-N
MW384.91 g/mol
LogP4.51
Rot. Bonds4

About (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride

(S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride (PubChem CID 57385014) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name(S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride
PubChem CID57385014
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name(S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride
SMILESCOc1ccc(-c2cc([C@H](O)[C@H]3CCCCN3)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C22H24N2O2.ClH/c1-26-16-11-9-15(10-12-16)21-14-18(17-6-2-3-7-19(17)24-21)22(25)20-8-4-5-13-23-20;/h2-3,6-7,9-12,14,20,22-23,25H,4-5,8,13H2,1H3;1H/t20-,22+;/m1./s1
InChIKeyXDCQPCFYXQGEGY-LBPAWUGGSA-N
XLogP4.51
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride 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 (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride?
The IUPAC name of (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride (CID 57385014) is (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride?
The canonical SMILES for (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride is COc1ccc(-c2cc([C@H](O)[C@H]3CCCCN3)c3ccccc3n2)cc1.Cl.
What is the InChIKey of (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride?
The InChIKey is XDCQPCFYXQGEGY-LBPAWUGGSA-N. The full InChI is InChI=1S/C22H24N2O2.ClH/c1-26-16-11-9-15(10-12-16)21-14-18(17-6-2-3-7-19(17)24-21)22(25)20-8-4-5-13-23-20;/h2-3,6-7,9-12,14,20,22-23,25H,4-5,8,13H2,1H3;1H/t20-,22+;/m1./s1.
What are the key properties of (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride?
(S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride has a molecular weight of 384.91 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 57385014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).