1-methyl-4-[(2E,4Z)-2-methylhexa-2,4-dienylidene]piperidine

C13H21N — CID 142220915

IUPAC1-methyl-4-[(2E,4Z)-2-methylhexa-2,4-dienylidene]piperidine
SMILESC/C=C\C=C(/C)C=C1CCN(C)CC1
InChIInChI=1S/C13H21N/c1-4-5-6-12(2)11-13-7-9-14(3)10-8-13/h4-6,11H,7-10H2,1-3H3/b5-4-,12-6+
InChIKeyFSQJMONYHYLOKK-QENXGIAESA-N
MW191.32 g/mol
LogP3.16
Rot. Bonds2

About 1-methyl-4-[(2E,4Z)-2-methylhexa-2,4-dienylidene]piperidine

1-methyl-4-[(2E,4Z)-2-methylhexa-2,4-dienylidene]piperidine (PubChem CID 142220915) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-methyl-4-[(2E,4Z)-2-methylhexa-2,4-dienylidene]piperidine.

Molecular Properties

Compound Name1-methyl-4-[(2E,4Z)-2-methylhexa-2,4-dienylidene]piperidine
PubChem CID142220915
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-methyl-4-[(2E,4Z)-2-methylhexa-2,4-dienylidene]piperidine
SMILESC/C=C\C=C(/C)C=C1CCN(C)CC1
InChIInChI=1S/C13H21N/c1-4-5-6-12(2)11-13-7-9-14(3)10-8-13/h4-6,11H,7-10H2,1-3H3/b5-4-,12-6+
InChIKeyFSQJMONYHYLOKK-QENXGIAESA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.16
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 1-methyl-4-[(2E,4Z)-2-methylhexa-2,4-dienylidene]piperidine?
The IUPAC name of 1-methyl-4-[(2E,4Z)-2-methylhexa-2,4-dienylidene]piperidine (CID 142220915) is 1-methyl-4-[(2E,4Z)-2-methylhexa-2,4-dienylidene]piperidine.
What is the SMILES notation for 1-methyl-4-[(2E,4Z)-2-methylhexa-2,4-dienylidene]piperidine?
The canonical SMILES for 1-methyl-4-[(2E,4Z)-2-methylhexa-2,4-dienylidene]piperidine is C/C=C\C=C(/C)C=C1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(2E,4Z)-2-methylhexa-2,4-dienylidene]piperidine?
The InChIKey is FSQJMONYHYLOKK-QENXGIAESA-N. The full InChI is InChI=1S/C13H21N/c1-4-5-6-12(2)11-13-7-9-14(3)10-8-13/h4-6,11H,7-10H2,1-3H3/b5-4-,12-6+.
What are the key properties of 1-methyl-4-[(2E,4Z)-2-methylhexa-2,4-dienylidene]piperidine?
1-methyl-4-[(2E,4Z)-2-methylhexa-2,4-dienylidene]piperidine has a molecular weight of 191.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2E,4Z)-2-methylhexa-2,4-dienylidene]piperidine is sourced from PubChem (CID 142220915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).