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

C12H19N — CID 89265993

IUPAC1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine
SMILESC=C(/C=C\C=C/C)N1CCCCC1
InChIInChI=1S/C12H19N/c1-3-4-6-9-12(2)13-10-7-5-8-11-13/h3-4,6,9H,2,5,7-8,10-11H2,1H3/b4-3-,9-6-
InChIKeyHCGFJWMIUGSMRV-UBCGXMOYSA-N
MW177.29 g/mol
LogP3.12
Rot. Bonds3

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

1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine (PubChem CID 89265993) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine.

Molecular Properties

Compound Name1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine
PubChem CID89265993
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine
SMILESC=C(/C=C\C=C/C)N1CCCCC1
InChIInChI=1S/C12H19N/c1-3-4-6-9-12(2)13-10-7-5-8-11-13/h3-4,6,9H,2,5,7-8,10-11H2,1H3/b4-3-,9-6-
InChIKeyHCGFJWMIUGSMRV-UBCGXMOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine?
The IUPAC name of 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine (CID 89265993) is 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine.
What is the SMILES notation for 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine?
The canonical SMILES for 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine is C=C(/C=C\C=C/C)N1CCCCC1.
What is the InChIKey of 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine?
The InChIKey is HCGFJWMIUGSMRV-UBCGXMOYSA-N. The full InChI is InChI=1S/C12H19N/c1-3-4-6-9-12(2)13-10-7-5-8-11-13/h3-4,6,9H,2,5,7-8,10-11H2,1H3/b4-3-,9-6-.
What are the key properties of 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine?
1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine has a molecular weight of 177.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine is sourced from PubChem (CID 89265993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).