1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

C14H18F3NO — CID 110539722

IUPAC1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESCN1CCC(O)C(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3NO/c1-18-6-5-13(19)11(9-18)7-10-3-2-4-12(8-10)14(15,16)17/h2-4,8,11,13,19H,5-7,9H2,1H3
InChIKeyBSIKJFQJEKEVAK-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.56
Rot. Bonds2

About 1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (PubChem CID 110539722) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
PubChem CID110539722
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESCN1CCC(O)C(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3NO/c1-18-6-5-13(19)11(9-18)7-10-3-2-4-12(8-10)14(15,16)17/h2-4,8,11,13,19H,5-7,9H2,1H3
InChIKeyBSIKJFQJEKEVAK-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110535914
(3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 157016308
1-[(3S,4R)-3-hydroxy-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 167541464
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 61462002
(2R)-1-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]aziridine
CID 10878939
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
(6R)-N,1-dimethyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-6-carboxamide
CID 125012077
1-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]cycloheptane
CID 63459682
1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene
CID 86203773
1-methoxycarbonyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 66731832
6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 122083935

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (CID 110539722) is 1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is CN1CCC(O)C(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The InChIKey is BSIKJFQJEKEVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-18-6-5-13(19)11(9-18)7-10-3-2-4-12(8-10)14(15,16)17/h2-4,8,11,13,19H,5-7,9H2,1H3.
What are the key properties of 1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol has a molecular weight of 273.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 110539722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).