4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidine

C13H23N — CID 126516806

IUPAC4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidine
SMILESC/C=C\C(=C/C)CC1CCN(C)CC1
InChIInChI=1S/C13H23N/c1-4-6-12(5-2)11-13-7-9-14(3)10-8-13/h4-6,13H,7-11H2,1-3H3/b6-4-,12-5+
InChIKeyKEHOLDQPSGWMGP-GLNLJRCCSA-N
MW193.33 g/mol
LogP3.24
Rot. Bonds3

About 4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidine

4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidine (PubChem CID 126516806) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidine
PubChem CID126516806
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidine
SMILESC/C=C\C(=C/C)CC1CCN(C)CC1
InChIInChI=1S/C13H23N/c1-4-6-12(5-2)11-13-7-9-14(3)10-8-13/h4-6,13H,7-11H2,1-3H3/b6-4-,12-5+
InChIKeyKEHOLDQPSGWMGP-GLNLJRCCSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.24
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

(E)-N-[(1-methylpiperidin-4-yl)methyl]but-2-en-1-amine
CID 107898886
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
4-[(E)-but-2-enyl]-1-methylpiperidine
CID 176646253
2-(1-methylpiperidin-4-yl)acetyl chloride
CID 13282022
(2R)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 130820619
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
1-(1-methylpiperidin-4-yl)pentan-2-one
CID 58553181
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421
4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine
CID 142209262
1-[(Z,4Z)-4-ethylidenehept-5-enyl]-4-methylpiperidine
CID 143745628
1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 63243077
(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propan-1-ol
CID 170321854

Frequently Asked Questions

What is the IUPAC name of 4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidine?
The IUPAC name of 4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidine (CID 126516806) is 4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidine.
What is the SMILES notation for 4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidine?
The canonical SMILES for 4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidine is C/C=C\C(=C/C)CC1CCN(C)CC1.
What is the InChIKey of 4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidine?
The InChIKey is KEHOLDQPSGWMGP-GLNLJRCCSA-N. The full InChI is InChI=1S/C13H23N/c1-4-6-12(5-2)11-13-7-9-14(3)10-8-13/h4-6,13H,7-11H2,1-3H3/b6-4-,12-5+.
What are the key properties of 4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidine?
4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidine has a molecular weight of 193.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidine is sourced from PubChem (CID 126516806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).