1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol

C14H20F3NO — CID 143177636

IUPAC1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol
SMILESC=C/C=C(\C=C(/C)C(F)(F)F)C1(O)CCN(C)CC1
InChIInChI=1S/C14H20F3NO/c1-4-5-12(10-11(2)14(15,16)17)13(19)6-8-18(3)9-7-13/h4-5,10,19H,1,6-9H2,2-3H3/b11-10+,12-5+
InChIKeyQZUMHFRPCODKNH-BVCYIJEXSA-N
MW275.31 g/mol
LogP3.06
Rot. Bonds3

About 1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol

1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol (PubChem CID 143177636) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol
PubChem CID143177636
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol
SMILESC=C/C=C(\C=C(/C)C(F)(F)F)C1(O)CCN(C)CC1
InChIInChI=1S/C14H20F3NO/c1-4-5-12(10-11(2)14(15,16)17)13(19)6-8-18(3)9-7-13/h4-5,10,19H,1,6-9H2,2-3H3/b11-10+,12-5+
InChIKeyQZUMHFRPCODKNH-BVCYIJEXSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-Bromo-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol
CID 123918644
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
4-Hydroxy-4-[4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine-1-carbaldehyde
CID 142080056
1-Methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol
CID 142975115
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
(3Z)-4-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexa-1,3,5-trien-3-ol
CID 167467873
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
1-Butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol
CID 162581636
4-Cyclohepta-1,3,6-trien-1-yl-1-methylpiperidin-4-ol
CID 58361231

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol?
The IUPAC name of 1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol (CID 143177636) is 1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol?
The canonical SMILES for 1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol is C=C/C=C(\C=C(/C)C(F)(F)F)C1(O)CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol?
The InChIKey is QZUMHFRPCODKNH-BVCYIJEXSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-4-5-12(10-11(2)14(15,16)17)13(19)6-8-18(3)9-7-13/h4-5,10,19H,1,6-9H2,2-3H3/b11-10+,12-5+.
What are the key properties of 1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol?
1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol has a molecular weight of 275.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol is sourced from PubChem (CID 143177636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).