(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol

C21H21ClN2O — CID 3246043

IUPAC(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol
SMILESO[C@@H](c1cc(-c2ccc(Cl)cc2)nc2ccccc12)[C@@H]1CCCCN1
InChIInChI=1S/C21H21ClN2O/c22-15-10-8-14(9-11-15)20-13-17(16-5-1-2-6-18(16)24-20)21(25)19-7-3-4-12-23-19/h1-2,5-6,8-11,13,19,21,23,25H,3-4,7,12H2/t19-,21-/m0/s1
InChIKeyVKLJPGAHSLIQKH-FPOVZHCZSA-N
MW352.87 g/mol
LogP4.73
Rot. Bonds3

About (S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol

(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol (PubChem CID 3246043) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is (S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol.

Molecular Properties

Compound Name(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol
PubChem CID3246043
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC Name(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol
SMILESO[C@@H](c1cc(-c2ccc(Cl)cc2)nc2ccccc12)[C@@H]1CCCCN1
InChIInChI=1S/C21H21ClN2O/c22-15-10-8-14(9-11-15)20-13-17(16-5-1-2-6-18(16)24-20)21(25)19-7-3-4-12-23-19/h1-2,5-6,8-11,13,19,21,23,25H,3-4,7,12H2/t19-,21-/m0/s1
InChIKeyVKLJPGAHSLIQKH-FPOVZHCZSA-N
XLogP4.73
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol?
The IUPAC name of (S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol (CID 3246043) is (S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol.
What is the SMILES notation for (S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol?
The canonical SMILES for (S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol is O[C@@H](c1cc(-c2ccc(Cl)cc2)nc2ccccc12)[C@@H]1CCCCN1.
What is the InChIKey of (S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol?
The InChIKey is VKLJPGAHSLIQKH-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H21ClN2O/c22-15-10-8-14(9-11-15)20-13-17(16-5-1-2-6-18(16)24-20)21(25)19-7-3-4-12-23-19/h1-2,5-6,8-11,13,19,21,23,25H,3-4,7,12H2/t19-,21-/m0/s1.
What are the key properties of (S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol?
(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol has a molecular weight of 352.87 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol is sourced from PubChem (CID 3246043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).