ethane;4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine

C16H31N — CID 163403157

IUPACethane;4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine
SMILESC=C(/C=C\C=C/C)C1CCNCC1.CC.CC
InChIInChI=1S/C12H19N.2C2H6/c1-3-4-5-6-11(2)12-7-9-13-10-8-12;2*1-2/h3-6,12-13H,2,7-10H2,1H3;2*1-2H3/b4-3-,6-5-;;
InChIKeyIFKLILFRGIPXTD-QNQCLSKXSA-N
MW237.43 g/mol
LogP4.73
Rot. Bonds3

About ethane;4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine

ethane;4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine (PubChem CID 163403157) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is ethane;4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine.

Molecular Properties

Compound Nameethane;4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine
PubChem CID163403157
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Nameethane;4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine
SMILESC=C(/C=C\C=C/C)C1CCNCC1.CC.CC
InChIInChI=1S/C12H19N.2C2H6/c1-3-4-5-6-11(2)12-7-9-13-10-8-12;2*1-2/h3-6,12-13H,2,7-10H2,1H3;2*1-2H3/b4-3-,6-5-;;
InChIKeyIFKLILFRGIPXTD-QNQCLSKXSA-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

Octahydro 4,4'-bipyridyl
CID 4867470
Hexahydroisoquinoline
CID 54394851
4-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
CID 68363150
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
4-(4-Fluorocyclohexa-1,5-dien-1-yl)piperidine
CID 89358489
N-[(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)methyl]-2-methylpropan-1-amine
CID 90831730
4-[1-(2-Fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
CID 91377758
3-ethyl-6-fluoro-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-4-en-1-amine
CID 123272222
7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
CID 123382807
N-[(E)-3-(5-fluoro-6-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)prop-2-enyl]pentan-1-amine
CID 126583499
(Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine
CID 129210432

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine?
The IUPAC name of ethane;4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine (CID 163403157) is ethane;4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine.
What is the SMILES notation for ethane;4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine?
The canonical SMILES for ethane;4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine is C=C(/C=C\C=C/C)C1CCNCC1.CC.CC.
What is the InChIKey of ethane;4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine?
The InChIKey is IFKLILFRGIPXTD-QNQCLSKXSA-N. The full InChI is InChI=1S/C12H19N.2C2H6/c1-3-4-5-6-11(2)12-7-9-13-10-8-12;2*1-2/h3-6,12-13H,2,7-10H2,1H3;2*1-2H3/b4-3-,6-5-;;.
What are the key properties of ethane;4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine?
ethane;4-[(3Z,5Z)-hepta-1,3,5-trien-2-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-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine is sourced from PubChem (CID 163403157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).