[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone

C18H18ClNO2 — CID 174762267

IUPAC[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(O)(c2ccccc2Cl)CC1
InChIInChI=1S/C18H18ClNO2/c19-16-9-5-4-8-15(16)18(22)10-12-20(13-11-18)17(21)14-6-2-1-3-7-14/h1-9,22H,10-13H2
InChIKeyIQRMXIZQJCJOMA-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.46
Rot. Bonds2

About [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone

[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone (PubChem CID 174762267) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone
PubChem CID174762267
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(O)(c2ccccc2Cl)CC1
InChIInChI=1S/C18H18ClNO2/c19-16-9-5-4-8-15(16)18(22)10-12-20(13-11-18)17(21)14-6-2-1-3-7-14/h1-9,22H,10-13H2
InChIKeyIQRMXIZQJCJOMA-UHFFFAOYSA-N
XLogP3.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(naphthalen-1-ylamino)oxyphenyl]methanone
CID 144699624
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(2-fluoro-2H-quinolin-1-yl)phenyl]methanone
CID 90418988
4-(2-chlorophenyl)-1-phenylpiperidin-4-ol
CID 106820839
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 78771391
4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024164
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[(2-fluoroquinolin-5-yl)sulfonylmethyl]phenyl]methanone
CID 152867731
N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-8-fluoroquinoxaline-5-sulfonamide
CID 78427898
[4-(1,2,3-benzothiadiazol-4-ylsulfanylamino)phenyl]-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 146582761
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[(2-methyl-1,3-benzoxazol-4-yl)sulfonylmethyl]phenyl]methanone
CID 149485819
1-benzoyl-4-hydroxypiperidine-4-carbonitrile
CID 13284424
tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 170985255
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone
CID 139010957

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone (CID 174762267) is [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(O)(c2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone?
The InChIKey is IQRMXIZQJCJOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c19-16-9-5-4-8-15(16)18(22)10-12-20(13-11-18)17(21)14-6-2-1-3-7-14/h1-9,22H,10-13H2.
What are the key properties of [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone?
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone has a molecular weight of 315.80 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 174762267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).