(4,4-difluorocyclohexyl)-[3-[(E)-prop-1-enyl]piperidin-1-yl]methanone

C15H23F2NO — CID 162563826

IUPAC(4,4-difluorocyclohexyl)-[3-[(E)-prop-1-enyl]piperidin-1-yl]methanone
SMILESC/C=C/C1CCCN(C(=O)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C15H23F2NO/c1-2-4-12-5-3-10-18(11-12)14(19)13-6-8-15(16,17)9-7-13/h2,4,12-13H,3,5-11H2,1H3/b4-2+
InChIKeyCVYWQBAKOMCCSP-DUXPYHPUSA-N
MW271.35 g/mol
LogP3.63
Rot. Bonds2

About (4,4-difluorocyclohexyl)-[3-[(E)-prop-1-enyl]piperidin-1-yl]methanone

(4,4-difluorocyclohexyl)-[3-[(E)-prop-1-enyl]piperidin-1-yl]methanone (PubChem CID 162563826) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[3-[(E)-prop-1-enyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[3-[(E)-prop-1-enyl]piperidin-1-yl]methanone
PubChem CID162563826
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name(4,4-difluorocyclohexyl)-[3-[(E)-prop-1-enyl]piperidin-1-yl]methanone
SMILESC/C=C/C1CCCN(C(=O)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C15H23F2NO/c1-2-4-12-5-3-10-18(11-12)14(19)13-6-8-15(16,17)9-7-13/h2,4,12-13H,3,5-11H2,1H3/b4-2+
InChIKeyCVYWQBAKOMCCSP-DUXPYHPUSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4,4-difluorocyclohexyl)-[3-[(E)-prop-1-enyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

AI 3-37220
CID 90567
1-(3-Cyclohexen-1-ylcarbonyl)piperidine
CID 162129
Cyclohexyl(3,6-dihydro-1(2H)-pyridinyl)methanone
CID 3047538
Piperidine, 1-((6-methyl-3-cyclohexen-1-yl)carbonyl)-
CID 3055356
SS-220
CID 40579125
N-oleoyl-4-methylpiperidin
CID 70607554
2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 39969447
Cyclohex-3-en-1-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 45800434
2-[(1R)-cyclopent-2-en-1-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 97864631
2-[(1R)-cyclohex-2-en-1-yl]-1-[3-(fluoromethyl)azetidin-1-yl]ethanone
CID 164631635
1-(5-azaspiro[2.5]octan-5-yl)-2-[(1R)-cyclohex-2-en-1-yl]ethanone
CID 164640600
(5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one
CID 70852566

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[3-[(E)-prop-1-enyl]piperidin-1-yl]methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-[3-[(E)-prop-1-enyl]piperidin-1-yl]methanone (CID 162563826) is (4,4-difluorocyclohexyl)-[3-[(E)-prop-1-enyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[3-[(E)-prop-1-enyl]piperidin-1-yl]methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-[3-[(E)-prop-1-enyl]piperidin-1-yl]methanone is C/C=C/C1CCCN(C(=O)C2CCC(F)(F)CC2)C1.
What is the InChIKey of (4,4-difluorocyclohexyl)-[3-[(E)-prop-1-enyl]piperidin-1-yl]methanone?
The InChIKey is CVYWQBAKOMCCSP-DUXPYHPUSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-2-4-12-5-3-10-18(11-12)14(19)13-6-8-15(16,17)9-7-13/h2,4,12-13H,3,5-11H2,1H3/b4-2+.
What are the key properties of (4,4-difluorocyclohexyl)-[3-[(E)-prop-1-enyl]piperidin-1-yl]methanone?
(4,4-difluorocyclohexyl)-[3-[(E)-prop-1-enyl]piperidin-1-yl]methanone has a molecular weight of 271.35 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[3-[(E)-prop-1-enyl]piperidin-1-yl]methanone is sourced from PubChem (CID 162563826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).