[4-[2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]methanol

C17H24F3NO — CID 70408999

IUPAC[4-[2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]methanol
SMILESCC(C)(Cc1cccc(C(F)(F)F)c1)C1(CO)CCNCC1
InChIInChI=1S/C17H24F3NO/c1-15(2,16(12-22)6-8-21-9-7-16)11-13-4-3-5-14(10-13)17(18,19)20/h3-5,10,21-22H,6-9,11-12H2,1-2H3
InChIKeyGJWJQNPOMQELMS-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.64
Rot. Bonds4

About [4-[2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]methanol

[4-[2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]methanol (PubChem CID 70408999) has the molecular formula C17H24F3NO and a molecular weight of 315.38 g/mol. Its IUPAC name is [4-[2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]methanol
PubChem CID70408999
Molecular FormulaC17H24F3NO
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name[4-[2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]methanol
SMILESCC(C)(Cc1cccc(C(F)(F)F)c1)C1(CO)CCNCC1
InChIInChI=1S/C17H24F3NO/c1-15(2,16(12-22)6-8-21-9-7-16)11-13-4-3-5-14(10-13)17(18,19)20/h3-5,10,21-22H,6-9,11-12H2,1-2H3
InChIKeyGJWJQNPOMQELMS-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [4-[2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]methanol (CID 70408999) is [4-[2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [4-[2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]methanol is CC(C)(Cc1cccc(C(F)(F)F)c1)C1(CO)CCNCC1.
What is the InChIKey of [4-[2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]methanol?
The InChIKey is GJWJQNPOMQELMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO/c1-15(2,16(12-22)6-8-21-9-7-16)11-13-4-3-5-14(10-13)17(18,19)20/h3-5,10,21-22H,6-9,11-12H2,1-2H3.
What are the key properties of [4-[2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]methanol?
[4-[2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]methanol has a molecular weight of 315.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 70408999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).