1-ethenyl-4-[(3E)-5-methylhexa-3,5-dien-3-yl]piperidine

C14H23N — CID 137439444

IUPAC1-ethenyl-4-[(3E)-5-methylhexa-3,5-dien-3-yl]piperidine
SMILESC=CN1CCC(/C(=C/C(=C)C)CC)CC1
InChIInChI=1S/C14H23N/c1-5-13(11-12(3)4)14-7-9-15(6-2)10-8-14/h6,11,14H,2-3,5,7-10H2,1,4H3/b13-11+
InChIKeyRBFVFSUSXORIJW-ACCUITESSA-N
MW205.34 g/mol
LogP3.75
Rot. Bonds4

About 1-ethenyl-4-[(3E)-5-methylhexa-3,5-dien-3-yl]piperidine

1-ethenyl-4-[(3E)-5-methylhexa-3,5-dien-3-yl]piperidine (PubChem CID 137439444) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-ethenyl-4-[(3E)-5-methylhexa-3,5-dien-3-yl]piperidine.

Molecular Properties

Compound Name1-ethenyl-4-[(3E)-5-methylhexa-3,5-dien-3-yl]piperidine
PubChem CID137439444
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-ethenyl-4-[(3E)-5-methylhexa-3,5-dien-3-yl]piperidine
SMILESC=CN1CCC(/C(=C/C(=C)C)CC)CC1
InChIInChI=1S/C14H23N/c1-5-13(11-12(3)4)14-7-9-15(6-2)10-8-14/h6,11,14H,2-3,5,7-10H2,1,4H3/b13-11+
InChIKeyRBFVFSUSXORIJW-ACCUITESSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.75
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-(3,7-Dimethyloct-6-en-1-yl)piperidine
CID 3592771
4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
N-allyltetrahydroquinoline
CID 69120580
N-Methyl-tetrahydrochinolin
CID 69139421
N-butyltetrahydroquinoline
CID 70628816
2-Ethyltetrahydroisoquinoline
CID 129739616
Dimethyl hexahydroquinoline
CID 129883835
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
2-ethyl-6-fluoro-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514110
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-methylpiperidine
CID 118422995
1-(8-Fluoro-4,5-dimethylnona-5,7-dienyl)piperidine
CID 123361404
1-Buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine
CID 123697465

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[(3E)-5-methylhexa-3,5-dien-3-yl]piperidine?
The IUPAC name of 1-ethenyl-4-[(3E)-5-methylhexa-3,5-dien-3-yl]piperidine (CID 137439444) is 1-ethenyl-4-[(3E)-5-methylhexa-3,5-dien-3-yl]piperidine.
What is the SMILES notation for 1-ethenyl-4-[(3E)-5-methylhexa-3,5-dien-3-yl]piperidine?
The canonical SMILES for 1-ethenyl-4-[(3E)-5-methylhexa-3,5-dien-3-yl]piperidine is C=CN1CCC(/C(=C/C(=C)C)CC)CC1.
What is the InChIKey of 1-ethenyl-4-[(3E)-5-methylhexa-3,5-dien-3-yl]piperidine?
The InChIKey is RBFVFSUSXORIJW-ACCUITESSA-N. The full InChI is InChI=1S/C14H23N/c1-5-13(11-12(3)4)14-7-9-15(6-2)10-8-14/h6,11,14H,2-3,5,7-10H2,1,4H3/b13-11+.
What are the key properties of 1-ethenyl-4-[(3E)-5-methylhexa-3,5-dien-3-yl]piperidine?
1-ethenyl-4-[(3E)-5-methylhexa-3,5-dien-3-yl]piperidine has a molecular weight of 205.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[(3E)-5-methylhexa-3,5-dien-3-yl]piperidine is sourced from PubChem (CID 137439444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).