(4-chlorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone

C20H21ClFNO2 — CID 45240656

IUPAC(4-chlorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCCC(CO)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H21ClFNO2/c21-17-6-4-16(5-7-17)19(25)23-11-1-10-20(13-23,14-24)12-15-2-8-18(22)9-3-15/h2-9,24H,1,10-14H2
InChIKeyLYTYOECXPLFSTR-UHFFFAOYSA-N
MW361.84 g/mol
LogP3.94
Rot. Bonds4

About (4-chlorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone

(4-chlorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 45240656) has the molecular formula C20H21ClFNO2 and a molecular weight of 361.84 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID45240656
Molecular FormulaC20H21ClFNO2
Molecular Weight361.84 g/mol
Exact Mass361.12
IUPAC Name(4-chlorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCCC(CO)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H21ClFNO2/c21-17-6-4-16(5-7-17)19(25)23-11-1-10-20(13-23,14-24)12-15-2-8-18(22)9-3-15/h2-9,24H,1,10-14H2
InChIKeyLYTYOECXPLFSTR-UHFFFAOYSA-N
XLogP3.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.84
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(4-Chlorophenyl)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 11200115
N-{2-(3,4-Dichloro-phenyl)-4-[4-(2-hydroxy-ethyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
CID 22405743
(4-Chloro-phenyl)-[4-(4-fluoro-benzoyl)-piperidin-1-yl]-methanone
CID 1437841
4-[4-(4-Chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 11303835
[1-(5-Chloro-2-fluorobenzoyl)-3-(2-methylbenzyl)piperidin-3-yl]methanol
CID 16188698
[1-(4-Fluorobenzoyl)-3-(2-methylbenzyl)-3-piperidinyl]methanol
CID 16188882
[1-(2-Chlorobenzoyl)-3-(2-methylbenzyl)-3-piperidinyl]methanol
CID 16191953
[1-(4-Chlorobenzyl)-3-(2,4-difluorobenzyl)-3-piperidinyl]methanol
CID 23723640
[4-(4-Chloro-benzoyl)-piperidin-1-yl]-(4-fluoro-phenyl)-methanone
CID 1437838
US9102591, 3-Chloro-N-[4-(4-chloro-phenyl)-tetrahydro-pyran-4-ylmethyl]-2-fluoro-benzamide
CID 117869734
[4-(4-Chloro-benzoyl)-piperidin-1-yl]-(2-fluoro-phenyl)-methanone
CID 1437833
[1-(3-Chlorobenzoyl)-3-(2-methylbenzyl)-3-piperidinyl]methanol
CID 16192343

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone (CID 45240656) is (4-chlorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCCC(CO)(Cc2ccc(F)cc2)C1.
What is the InChIKey of (4-chlorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is LYTYOECXPLFSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO2/c21-17-6-4-16(5-7-17)19(25)23-11-1-10-20(13-23,14-24)12-15-2-8-18(22)9-3-15/h2-9,24H,1,10-14H2.
What are the key properties of (4-chlorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone?
(4-chlorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 361.84 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 45240656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).