(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone

C14H16F3NO2 — CID 80707552

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCC1(O)CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C14H16F3NO2/c1-13(20)6-8-18(9-7-13)12(19)10-4-2-3-5-11(10)14(15,16)17/h2-5,20H,6-9H2,1H3
InChIKeyNHODXZDGNUVEOF-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.69
Rot. Bonds1

About (4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone

(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 80707552) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID80707552
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCC1(O)CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C14H16F3NO2/c1-13(20)6-8-18(9-7-13)12(19)10-4-2-3-5-11(10)14(15,16)17/h2-5,20H,6-9H2,1H3
InChIKeyNHODXZDGNUVEOF-UHFFFAOYSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-bromo-2-(trifluoromethyl)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103925332
(2-tert-butylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103820491
1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 24701821
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
1-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 136549485
3-propan-2-yl-8-[2-(trifluoromethyl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494060
3,3-dimethyl-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one
CID 63607589
(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 82828823
(4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 86276608
(2-chlorophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406239
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 108545273

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 80707552) is (4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone is CC1(O)CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is NHODXZDGNUVEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-13(20)6-8-18(9-7-13)12(19)10-4-2-3-5-11(10)14(15,16)17/h2-5,20H,6-9H2,1H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 287.28 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 80707552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).