(3R)-3-(hydroxymethyl)-1-(2-phenylquinolin-4-yl)piperidin-3-ol

C21H22N2O2 — CID 95867097

IUPAC(3R)-3-(hydroxymethyl)-1-(2-phenylquinolin-4-yl)piperidin-3-ol
SMILESOC[C@@]1(O)CCCN(c2cc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C21H22N2O2/c24-15-21(25)11-6-12-23(14-21)20-13-19(16-7-2-1-3-8-16)22-18-10-5-4-9-17(18)20/h1-5,7-10,13,24-25H,6,11-12,14-15H2/t21-/m1/s1
InChIKeyLFVDHMLUDURQJU-OAQYLSRUSA-N
MW334.42 g/mol
LogP3.23
Rot. Bonds3

About (3R)-3-(hydroxymethyl)-1-(2-phenylquinolin-4-yl)piperidin-3-ol

(3R)-3-(hydroxymethyl)-1-(2-phenylquinolin-4-yl)piperidin-3-ol (PubChem CID 95867097) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-1-(2-phenylquinolin-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-1-(2-phenylquinolin-4-yl)piperidin-3-ol
PubChem CID95867097
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(3R)-3-(hydroxymethyl)-1-(2-phenylquinolin-4-yl)piperidin-3-ol
SMILESOC[C@@]1(O)CCCN(c2cc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C21H22N2O2/c24-15-21(25)11-6-12-23(14-21)20-13-19(16-7-2-1-3-8-16)22-18-10-5-4-9-17(18)20/h1-5,7-10,13,24-25H,6,11-12,14-15H2/t21-/m1/s1
InChIKeyLFVDHMLUDURQJU-OAQYLSRUSA-N
XLogP3.23
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 90461235
4-(3-ethylpiperidin-1-yl)-2-phenylquinoline
CID 90687074
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
CID 45051409
(3R)-1-(2-phenylquinolin-4-yl)pyrrolidin-3-ol
CID 22965973
4-(4-ethylpiperidin-1-yl)-2-phenylquinoline
CID 91081201
1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile
CID 10686671
4-(2,3-dihydroindol-1-yl)-2-phenylquinoline
CID 91742521
2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate
CID 51057895
2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 135294181
deuterio-(2-phenylquinolin-4-yl)methanol
CID 88591215
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
1-(6-ethyl-4-methylquinolin-2-yl)-3-(hydroxymethyl)piperidin-3-ol
CID 56885699

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-1-(2-phenylquinolin-4-yl)piperidin-3-ol?
The IUPAC name of (3R)-3-(hydroxymethyl)-1-(2-phenylquinolin-4-yl)piperidin-3-ol (CID 95867097) is (3R)-3-(hydroxymethyl)-1-(2-phenylquinolin-4-yl)piperidin-3-ol.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-1-(2-phenylquinolin-4-yl)piperidin-3-ol?
The canonical SMILES for (3R)-3-(hydroxymethyl)-1-(2-phenylquinolin-4-yl)piperidin-3-ol is OC[C@@]1(O)CCCN(c2cc(-c3ccccc3)nc3ccccc23)C1.
What is the InChIKey of (3R)-3-(hydroxymethyl)-1-(2-phenylquinolin-4-yl)piperidin-3-ol?
The InChIKey is LFVDHMLUDURQJU-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-15-21(25)11-6-12-23(14-21)20-13-19(16-7-2-1-3-8-16)22-18-10-5-4-9-17(18)20/h1-5,7-10,13,24-25H,6,11-12,14-15H2/t21-/m1/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-1-(2-phenylquinolin-4-yl)piperidin-3-ol?
(3R)-3-(hydroxymethyl)-1-(2-phenylquinolin-4-yl)piperidin-3-ol has a molecular weight of 334.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-1-(2-phenylquinolin-4-yl)piperidin-3-ol is sourced from PubChem (CID 95867097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).