(4-chloro-3-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone

C14H15ClF3NO2 — CID 86781380

IUPAC(4-chloro-3-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(O)(C(F)(F)F)CC2)ccc1Cl
InChIInChI=1S/C14H15ClF3NO2/c1-9-8-10(2-3-11(9)15)12(20)19-6-4-13(21,5-7-19)14(16,17)18/h2-3,8,21H,4-7H2,1H3
InChIKeyPOZJOVIAZIZQNV-UHFFFAOYSA-N
MW321.73 g/mol
LogP3.18
Rot. Bonds1

About (4-chloro-3-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone

(4-chloro-3-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 86781380) has the molecular formula C14H15ClF3NO2 and a molecular weight of 321.73 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID86781380
Molecular FormulaC14H15ClF3NO2
Molecular Weight321.73 g/mol
Exact Mass321.07
IUPAC Name(4-chloro-3-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(O)(C(F)(F)F)CC2)ccc1Cl
InChIInChI=1S/C14H15ClF3NO2/c1-9-8-10(2-3-11(9)15)12(20)19-6-4-13(21,5-7-19)14(16,17)18/h2-3,8,21H,4-7H2,1H3
InChIKeyPOZJOVIAZIZQNV-UHFFFAOYSA-N
XLogP3.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.73
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 110016650
(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707064
1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251452
1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964411
furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 84592483
2-[4-(4-chloro-3-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 115694750
(4-chloro-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 113397126
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
[(3R)-3-aminopyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone;hydrochloride
CID 119413588
(4-chloro-3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113343512
(4-chloro-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 112701154
(4-chloro-3-methylphenyl)-[4-[(2S)-1-hydroxybutan-2-yl]piperazin-1-yl]methanone
CID 99776499

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-3-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone (CID 86781380) is (4-chloro-3-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-3-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-3-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(O)(C(F)(F)F)CC2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is POZJOVIAZIZQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3NO2/c1-9-8-10(2-3-11(9)15)12(20)19-6-4-13(21,5-7-19)14(16,17)18/h2-3,8,21H,4-7H2,1H3.
What are the key properties of (4-chloro-3-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
(4-chloro-3-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 321.73 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 86781380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).