ethane;1-[(3E,5Z)-3-methylhepta-3,5-dienyl]piperidine

C15H29N — CID 142152704

IUPACethane;1-[(3E,5Z)-3-methylhepta-3,5-dienyl]piperidine
SMILESC/C=C\C=C(/C)CCN1CCCCC1.CC
InChIInChI=1S/C13H23N.C2H6/c1-3-4-8-13(2)9-12-14-10-6-5-7-11-14;1-2/h3-4,8H,5-7,9-12H2,1-2H3;1-2H3/b4-3-,13-8+;
InChIKeyBDVQRAMWWNNHPQ-CQPQAKJBSA-N
MW223.40 g/mol
LogP4.41
Rot. Bonds4

About ethane;1-[(3E,5Z)-3-methylhepta-3,5-dienyl]piperidine

ethane;1-[(3E,5Z)-3-methylhepta-3,5-dienyl]piperidine (PubChem CID 142152704) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is ethane;1-[(3E,5Z)-3-methylhepta-3,5-dienyl]piperidine.

Molecular Properties

Compound Nameethane;1-[(3E,5Z)-3-methylhepta-3,5-dienyl]piperidine
PubChem CID142152704
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Nameethane;1-[(3E,5Z)-3-methylhepta-3,5-dienyl]piperidine
SMILESC/C=C\C=C(/C)CCN1CCCCC1.CC
InChIInChI=1S/C13H23N.C2H6/c1-3-4-8-13(2)9-12-14-10-6-5-7-11-14;1-2/h3-4,8H,5-7,9-12H2,1-2H3;1-2H3/b4-3-,13-8+;
InChIKeyBDVQRAMWWNNHPQ-CQPQAKJBSA-N
XLogP4.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Geranylpiperidine
CID 12760939
Bromo[2-(1-piperidinylmethyl)phenyl]magnesium
CID 16217258
[3-(1-Piperidinylmethyl)phenyl]magnesium bromide
CID 16217259
(4-(1-Piperidinylmethyl)phenyl)magnesium bromide
CID 16217260
1-[(1E,3E)-hexa-1,3-dienyl]piperidine
CID 15665730
1-(2,5-Dimethyl-1,4-hexadien-1-YL)piperidine
CID 24209787
1-(1-Cyclopenta-2,4-dien-1-ylidenepropyl)piperidine
CID 134982821
1-[(E)-2-ethylhex-2-enyl]-1-methylpiperidin-1-ium
CID 6152674
4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
1-Methyl-4-(1-methylethylidene)-piperidine
CID 18715669
1-(3,7-Dimethylocta-2,6-dien-1-yl)piperidine
CID 53765235
N-(2,7-dimethyl-2,7-octadienyl)piperidine
CID 86023806

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3E,5Z)-3-methylhepta-3,5-dienyl]piperidine?
The IUPAC name of ethane;1-[(3E,5Z)-3-methylhepta-3,5-dienyl]piperidine (CID 142152704) is ethane;1-[(3E,5Z)-3-methylhepta-3,5-dienyl]piperidine.
What is the SMILES notation for ethane;1-[(3E,5Z)-3-methylhepta-3,5-dienyl]piperidine?
The canonical SMILES for ethane;1-[(3E,5Z)-3-methylhepta-3,5-dienyl]piperidine is C/C=C\C=C(/C)CCN1CCCCC1.CC.
What is the InChIKey of ethane;1-[(3E,5Z)-3-methylhepta-3,5-dienyl]piperidine?
The InChIKey is BDVQRAMWWNNHPQ-CQPQAKJBSA-N. The full InChI is InChI=1S/C13H23N.C2H6/c1-3-4-8-13(2)9-12-14-10-6-5-7-11-14;1-2/h3-4,8H,5-7,9-12H2,1-2H3;1-2H3/b4-3-,13-8+;.
What are the key properties of ethane;1-[(3E,5Z)-3-methylhepta-3,5-dienyl]piperidine?
ethane;1-[(3E,5Z)-3-methylhepta-3,5-dienyl]piperidine has a molecular weight of 223.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3E,5Z)-3-methylhepta-3,5-dienyl]piperidine is sourced from PubChem (CID 142152704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).