1-[(1S)-2,2-difluoro-1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexyl]piperidine

C18H27F2N — CID 167081834

IUPAC1-[(1S)-2,2-difluoro-1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexyl]piperidine
SMILESC=C(/C=C\C=C/C)[C@@]1(N2CCCCC2)CCCCC1(F)F
InChIInChI=1S/C18H27F2N/c1-3-4-6-11-16(2)17(21-14-9-5-10-15-21)12-7-8-13-18(17,19)20/h3-4,6,11H,2,5,7-10,12-15H2,1H3/b4-3-,11-6-/t17-/m0/s1
InChIKeyCJPAZVARFOUGGX-WLPCNANFSA-N
MW295.42 g/mol
LogP5.11
Rot. Bonds4

About 1-[(1S)-2,2-difluoro-1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexyl]piperidine

1-[(1S)-2,2-difluoro-1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexyl]piperidine (PubChem CID 167081834) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[(1S)-2,2-difluoro-1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexyl]piperidine.

Molecular Properties

Compound Name1-[(1S)-2,2-difluoro-1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexyl]piperidine
PubChem CID167081834
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[(1S)-2,2-difluoro-1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexyl]piperidine
SMILESC=C(/C=C\C=C/C)[C@@]1(N2CCCCC2)CCCCC1(F)F
InChIInChI=1S/C18H27F2N/c1-3-4-6-11-16(2)17(21-14-9-5-10-15-21)12-7-8-13-18(17,19)20/h3-4,6,11H,2,5,7-10,12-15H2,1H3/b4-3-,11-6-/t17-/m0/s1
InChIKeyCJPAZVARFOUGGX-WLPCNANFSA-N
XLogP5.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.42
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(1S)-2,2-difluoro-1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexyl]piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,2-difluoro-1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexyl]piperidine?
The IUPAC name of 1-[(1S)-2,2-difluoro-1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexyl]piperidine (CID 167081834) is 1-[(1S)-2,2-difluoro-1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexyl]piperidine.
What is the SMILES notation for 1-[(1S)-2,2-difluoro-1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexyl]piperidine?
The canonical SMILES for 1-[(1S)-2,2-difluoro-1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexyl]piperidine is C=C(/C=C\C=C/C)[C@@]1(N2CCCCC2)CCCCC1(F)F.
What is the InChIKey of 1-[(1S)-2,2-difluoro-1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexyl]piperidine?
The InChIKey is CJPAZVARFOUGGX-WLPCNANFSA-N. The full InChI is InChI=1S/C18H27F2N/c1-3-4-6-11-16(2)17(21-14-9-5-10-15-21)12-7-8-13-18(17,19)20/h3-4,6,11H,2,5,7-10,12-15H2,1H3/b4-3-,11-6-/t17-/m0/s1.
What are the key properties of 1-[(1S)-2,2-difluoro-1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexyl]piperidine?
1-[(1S)-2,2-difluoro-1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexyl]piperidine has a molecular weight of 295.42 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,2-difluoro-1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexyl]piperidine is sourced from PubChem (CID 167081834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).