1-butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol

C17H26F3NO — CID 162581636

IUPAC1-butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol
SMILESCCCCN1CCC(O)(C2=CCC(C)C(C(F)(F)F)=C2)CC1
InChIInChI=1S/C17H26F3NO/c1-3-4-9-21-10-7-16(22,8-11-21)14-6-5-13(2)15(12-14)17(18,19)20/h6,12-13,22H,3-5,7-11H2,1-2H3
InChIKeyLSELEGBRGIDGFA-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.07
Rot. Bonds4

About 1-butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol

1-butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol (PubChem CID 162581636) has the molecular formula C17H26F3NO and a molecular weight of 317.40 g/mol. Its IUPAC name is 1-butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol
PubChem CID162581636
Molecular FormulaC17H26F3NO
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name1-butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol
SMILESCCCCN1CCC(O)(C2=CCC(C)C(C(F)(F)F)=C2)CC1
InChIInChI=1S/C17H26F3NO/c1-3-4-9-21-10-7-16(22,8-11-21)14-6-5-13(2)15(12-14)17(18,19)20/h6,12-13,22H,3-5,7-11H2,1-2H3
InChIKeyLSELEGBRGIDGFA-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 ≤ 500317.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 134365797
4-[(2Z,4E)-2-chloro-6,6,6-trifluoro-5-methylhexa-2,4-dien-3-yl]-1-(4-methylpent-4-enyl)piperidin-4-ol;ethane;2-methyloct-1-ene
CID 141880082
1-Methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol
CID 142975115
1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol
CID 143177636
4-[(E)-3,3-difluoroprop-1-enyl]-1-methylpiperidin-4-ol
CID 144699610
1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol
CID 146582433
1-Tert-butyl-4-(4,4,4-trifluorobut-1-enyl)piperidin-4-ol
CID 173550945
4-[(2Z,4E)-2-chloro-6,6,6-trifluoro-5-methylhexa-2,4-dien-3-yl]-1-(4-methylpent-4-enyl)piperidin-4-ol
CID 141880083
4-Cyclohepta-1,3,6-trien-1-yl-1-methylpiperidin-4-ol
CID 58361231
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol
CID 134365800
4-(3,4-Dimethylcyclohexa-1,5-dien-1-yl)-1-methylpiperidin-4-ol
CID 141791942
ethane;4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 141848831

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol?
The IUPAC name of 1-butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol (CID 162581636) is 1-butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol.
What is the SMILES notation for 1-butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol?
The canonical SMILES for 1-butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol is CCCCN1CCC(O)(C2=CCC(C)C(C(F)(F)F)=C2)CC1.
What is the InChIKey of 1-butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol?
The InChIKey is LSELEGBRGIDGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3NO/c1-3-4-9-21-10-7-16(22,8-11-21)14-6-5-13(2)15(12-14)17(18,19)20/h6,12-13,22H,3-5,7-11H2,1-2H3.
What are the key properties of 1-butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol?
1-butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol has a molecular weight of 317.40 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-butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol is sourced from PubChem (CID 162581636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).