[3-[(2-methylphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol

C22H26F3NO — CID 45242897

IUPAC[3-[(2-methylphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol
SMILESCc1ccccc1CC1(CO)CCCN(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C22H26F3NO/c1-17-7-2-3-8-18(17)13-21(16-27)11-6-12-26(15-21)14-19-9-4-5-10-20(19)22(23,24)25/h2-5,7-10,27H,6,11-16H2,1H3
InChIKeyBJCHDZSDZJKGBL-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.83
Rot. Bonds5

About [3-[(2-methylphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol

[3-[(2-methylphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol (PubChem CID 45242897) has the molecular formula C22H26F3NO and a molecular weight of 377.45 g/mol. Its IUPAC name is [3-[(2-methylphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-methylphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol
PubChem CID45242897
Molecular FormulaC22H26F3NO
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name[3-[(2-methylphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol
SMILESCc1ccccc1CC1(CO)CCCN(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C22H26F3NO/c1-17-7-2-3-8-18(17)13-21(16-27)11-6-12-26(15-21)14-19-9-4-5-10-20(19)22(23,24)25/h2-5,7-10,27H,6,11-16H2,1H3
InChIKeyBJCHDZSDZJKGBL-UHFFFAOYSA-N
XLogP4.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-[(2-methylphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol (CID 45242897) is [3-[(2-methylphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(2-methylphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[(2-methylphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol is Cc1ccccc1CC1(CO)CCCN(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of [3-[(2-methylphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol?
The InChIKey is BJCHDZSDZJKGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3NO/c1-17-7-2-3-8-18(17)13-21(16-27)11-6-12-26(15-21)14-19-9-4-5-10-20(19)22(23,24)25/h2-5,7-10,27H,6,11-16H2,1H3.
What are the key properties of [3-[(2-methylphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol?
[3-[(2-methylphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol has a molecular weight of 377.45 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 45242897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).