1-[3-methyl-3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butyl]piperidin-4-ol

C17H26F3NO — CID 148748127

IUPAC1-[3-methyl-3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butyl]piperidin-4-ol
SMILESCC(C)(CCN1CCC(O)CC1)C1=CC=C(C(F)(F)F)CC1
InChIInChI=1S/C17H26F3NO/c1-16(2,9-12-21-10-7-15(22)8-11-21)13-3-5-14(6-4-13)17(18,19)20/h3,5,15,22H,4,6-12H2,1-2H3
InChIKeyOEDRNDSWKINOTD-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.07
Rot. Bonds4

About 1-[3-methyl-3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butyl]piperidin-4-ol

1-[3-methyl-3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butyl]piperidin-4-ol (PubChem CID 148748127) has the molecular formula C17H26F3NO and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[3-methyl-3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-methyl-3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butyl]piperidin-4-ol
PubChem CID148748127
Molecular FormulaC17H26F3NO
Molecular Weight317.39 g/mol
Exact Mass317.20
IUPAC Name1-[3-methyl-3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butyl]piperidin-4-ol
SMILESCC(C)(CCN1CCC(O)CC1)C1=CC=C(C(F)(F)F)CC1
InChIInChI=1S/C17H26F3NO/c1-16(2,9-12-21-10-7-15(22)8-11-21)13-3-5-14(6-4-13)17(18,19)20/h3,5,15,22H,4,6-12H2,1-2H3
InChIKeyOEDRNDSWKINOTD-UHFFFAOYSA-N
XLogP4.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butyl]piperidin-4-ol?
The IUPAC name of 1-[3-methyl-3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butyl]piperidin-4-ol (CID 148748127) is 1-[3-methyl-3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-methyl-3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butyl]piperidin-4-ol?
The canonical SMILES for 1-[3-methyl-3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butyl]piperidin-4-ol is CC(C)(CCN1CCC(O)CC1)C1=CC=C(C(F)(F)F)CC1.
What is the InChIKey of 1-[3-methyl-3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butyl]piperidin-4-ol?
The InChIKey is OEDRNDSWKINOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3NO/c1-16(2,9-12-21-10-7-15(22)8-11-21)13-3-5-14(6-4-13)17(18,19)20/h3,5,15,22H,4,6-12H2,1-2H3.
What are the key properties of 1-[3-methyl-3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butyl]piperidin-4-ol?
1-[3-methyl-3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butyl]piperidin-4-ol has a molecular weight of 317.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butyl]piperidin-4-ol is sourced from PubChem (CID 148748127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).