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

C12H19N — CID 145351858

IUPAC3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine
SMILESC=C(/C=C\C=C/C)C1CCCNC1
InChIInChI=1S/C12H19N/c1-3-4-5-7-11(2)12-8-6-9-13-10-12/h3-5,7,12-13H,2,6,8-10H2,1H3/b4-3-,7-5-
InChIKeyRPXKLHHITKQMIB-MRWCJKGFSA-N
MW177.29 g/mol
LogP2.67
Rot. Bonds3

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

3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine (PubChem CID 145351858) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine.

Molecular Properties

Compound Name3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine
PubChem CID145351858
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine
SMILESC=C(/C=C\C=C/C)C1CCCNC1
InChIInChI=1S/C12H19N/c1-3-4-5-7-11(2)12-8-6-9-13-10-12/h3-5,7,12-13H,2,6,8-10H2,1H3/b4-3-,7-5-
InChIKeyRPXKLHHITKQMIB-MRWCJKGFSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hepta-1,3,5-trien-2-ylcyclohexane
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4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine
CID 89363927
N-methyl-N-piperidin-3-ylhexa-2,4-dienamide
CID 77003180
3-[(3Z,5Z)-3,5-dimethylhepta-1,3,5-trien-4-yl]piperidine
CID 143693591
(1Z)-1-piperidin-3-ylbuta-1,3-diene-1,3-diamine
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4-methyl-1-piperidin-3-ylpent-4-en-1-one
CID 114477848
2-piperidin-3-ylprop-2-enoic acid
CID 117266899
(Z)-3-(3,4-dimethoxyphenyl)-3-[[(2Z)-4-piperidin-3-ylpenta-2,4-dienylidene]amino]prop-2-enal
CID 137384851
di(piperidin-3-yl)methanone
CID 69183047
1-hepta-1,3,5-trien-2-ylpiperazine
CID 90763085
1-piperidin-3-yloct-7-en-1-one
CID 107010785
ethene;piperidine-3-carboxamide
CID 91354072

Frequently Asked Questions

What is the IUPAC name of 3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine?
The IUPAC name of 3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine (CID 145351858) is 3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine.
What is the SMILES notation for 3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine?
The canonical SMILES for 3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine is C=C(/C=C\C=C/C)C1CCCNC1.
What is the InChIKey of 3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine?
The InChIKey is RPXKLHHITKQMIB-MRWCJKGFSA-N. The full InChI is InChI=1S/C12H19N/c1-3-4-5-7-11(2)12-8-6-9-13-10-12/h3-5,7,12-13H,2,6,8-10H2,1H3/b4-3-,7-5-.
What are the key properties of 3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine?
3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine has a molecular weight of 177.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine is sourced from PubChem (CID 145351858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).