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

C22H24N2O2 — CID 3246093

IUPAC(S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol
SMILESCOc1ccc(-c2cc([C@H](O)[C@@H]3CCCCN3)c3ccccc3n2)cc1
InChIInChI=1S/C22H24N2O2/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/t20-,22-/m0/s1
InChIKeyPKDJQOGOVQLPPG-UNMCSNQZSA-N
MW348.45 g/mol
LogP4.09
Rot. Bonds4

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

(S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol (PubChem CID 3246093) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol.

Molecular Properties

Compound Name(S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol
PubChem CID3246093
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol
SMILESCOc1ccc(-c2cc([C@H](O)[C@@H]3CCCCN3)c3ccccc3n2)cc1
InChIInChI=1S/C22H24N2O2/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/t20-,22-/m0/s1
InChIKeyPKDJQOGOVQLPPG-UNMCSNQZSA-N
XLogP4.09
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol?
The IUPAC name of (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol (CID 3246093) is (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol.
What is the SMILES notation for (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol?
The canonical SMILES for (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol is COc1ccc(-c2cc([C@H](O)[C@@H]3CCCCN3)c3ccccc3n2)cc1.
What is the InChIKey of (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol?
The InChIKey is PKDJQOGOVQLPPG-UNMCSNQZSA-N. The full InChI is InChI=1S/C22H24N2O2/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/t20-,22-/m0/s1.
What are the key properties of (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol?
(S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol has a molecular weight of 348.45 g/mol, XLogP of 4.09, 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]-[(2S)-piperidin-2-yl]methanol is sourced from PubChem (CID 3246093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).