(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone

C18H19NO2 — CID 110868609

IUPAC(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
SMILESO=C(c1cccc(-c2ccccc2)c1)N1CCCC(O)C1
InChIInChI=1S/C18H19NO2/c20-17-10-5-11-19(13-17)18(21)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-4,6-9,12,17,20H,5,10-11,13H2
InChIKeyAILRYUQNWORVLC-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.95
Rot. Bonds2

About (3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone

(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone (PubChem CID 110868609) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
PubChem CID110868609
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
SMILESO=C(c1cccc(-c2ccccc2)c1)N1CCCC(O)C1
InChIInChI=1S/C18H19NO2/c20-17-10-5-11-19(13-17)18(21)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-4,6-9,12,17,20H,5,10-11,13H2
InChIKeyAILRYUQNWORVLC-UHFFFAOYSA-N
XLogP2.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-hydroxypiperidin-1-yl]-(5-phenylthiophen-3-yl)methanone
CID 58110219
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
(3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 111439387
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone
CID 45210373
(3,4-dihydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300644
cyclobutyl-[4-(3-phenylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110798986
[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 51458046
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
(3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone
CID 71978123
(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 110881986
(3-hydroxypiperidin-1-yl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 111536594

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone (CID 110868609) is (3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone is O=C(c1cccc(-c2ccccc2)c1)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone?
The InChIKey is AILRYUQNWORVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-17-10-5-11-19(13-17)18(21)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-4,6-9,12,17,20H,5,10-11,13H2.
What are the key properties of (3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone?
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone has a molecular weight of 281.36 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone is sourced from PubChem (CID 110868609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).