[3-(2-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C15H18F3NO2 — CID 62370925

IUPAC[3-(2-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCCC(CCO)C1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)13-5-3-12(4-6-13)14(21)19-8-1-2-11(10-19)7-9-20/h3-6,11,20H,1-2,7-10H2
InChIKeyVZLMPESMLFPBTM-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.94
Rot. Bonds3

About [3-(2-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[3-(2-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 62370925) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID62370925
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name[3-(2-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCCC(CCO)C1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)13-5-3-12(4-6-13)14(21)19-8-1-2-11(10-19)7-9-20/h3-6,11,20H,1-2,7-10H2
InChIKeyVZLMPESMLFPBTM-UHFFFAOYSA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 16196020
1-Benzoylpiperidine-4-carboxylic acid
CID 78935
(4-Ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
1-[4-(Trifluoromethyl)benzoyl]piperidine
CID 620616
4-Trifluoromethylbenzoic acid, morpholide
CID 532068
4-Piperidinemethanol, 1-benzoyl-
CID 10262870
1-(4-Fluorobenzoyl)piperidine-4-carboxylic acid
CID 778075
1-(2,4-Difluorobenzoyl)piperidine-4-carboxylic acid
CID 2813192
2-(4-Benzoylpiperazin-1-yl)ethan-1-ol
CID 3261601
(3-Hydroxy-1-piperidinyl)phenylmethanone
CID 14920287
N-[(Oxolan-3-YL)methyl]-N-propyl-4-(trifluoromethyl)benzamide
CID 91915481
1-[4-(Trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 2366527

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 62370925) is [3-(2-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-(2-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCCC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is VZLMPESMLFPBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-15(17,18)13-5-3-12(4-6-13)14(21)19-8-1-2-11(10-19)7-9-20/h3-6,11,20H,1-2,7-10H2.
What are the key properties of [3-(2-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[3-(2-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 301.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 62370925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).