ethane;4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]piperidine

C16H31N — CID 142942953

IUPACethane;4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]piperidine
SMILESC=C/C=C\C(=C/C)C1CCNCC1.CC.CC
InChIInChI=1S/C12H19N.2C2H6/c1-3-5-6-11(4-2)12-7-9-13-10-8-12;2*1-2/h3-6,12-13H,1,7-10H2,2H3;2*1-2H3/b6-5-,11-4+;;
InChIKeyRSZBVRPVACPPLA-IPVZZMEGSA-N
MW237.43 g/mol
LogP4.73
Rot. Bonds3

About ethane;4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]piperidine

ethane;4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]piperidine (PubChem CID 142942953) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is ethane;4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]piperidine.

Molecular Properties

Compound Nameethane;4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]piperidine
PubChem CID142942953
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Nameethane;4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]piperidine
SMILESC=C/C=C\C(=C/C)C1CCNCC1.CC.CC
InChIInChI=1S/C12H19N.2C2H6/c1-3-5-6-11(4-2)12-7-9-13-10-8-12;2*1-2/h3-6,12-13H,1,7-10H2,2H3;2*1-2H3/b6-5-,11-4+;;
InChIKeyRSZBVRPVACPPLA-IPVZZMEGSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.73
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

2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidine
CID 142925700
4-[(E)-but-2-en-2-yl]piperidine
CID 134286079
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine
CID 143059100
4-[(Z)-1-fluoroprop-1-en-2-yl]piperidine
CID 174359173
3-[(E)-but-2-en-2-yl]pyrrolidine
CID 122236928
1-[1-(azocan-5-yl)penta-2,4-dienylidene]azocan-1-ium
CID 20981557
ethane;1-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]-4-methylcyclohexane;1-[4-(1,1,1-trifluoropropan-2-yl)phenyl]ethanone
CID 143379628
(2E)-N-(1-piperidin-4-ylethenyl)penta-2,4-dien-2-amine
CID 142139228
5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 142068232
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine
CID 88582834
N-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine
CID 142494932
4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine
CID 178093909

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]piperidine?
The IUPAC name of ethane;4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]piperidine (CID 142942953) is ethane;4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]piperidine.
What is the SMILES notation for ethane;4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]piperidine?
The canonical SMILES for ethane;4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]piperidine is C=C/C=C\C(=C/C)C1CCNCC1.CC.CC.
What is the InChIKey of ethane;4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]piperidine?
The InChIKey is RSZBVRPVACPPLA-IPVZZMEGSA-N. The full InChI is InChI=1S/C12H19N.2C2H6/c1-3-5-6-11(4-2)12-7-9-13-10-8-12;2*1-2/h3-6,12-13H,1,7-10H2,2H3;2*1-2H3/b6-5-,11-4+;;.
What are the key properties of ethane;4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]piperidine?
ethane;4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]piperidine has a molecular weight of 237.43 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]piperidine is sourced from PubChem (CID 142942953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).