1-[(E)-2-ethenylbut-2-enyl]-3-methylpiperidine

C12H21N — CID 144825282

IUPAC1-[(E)-2-ethenylbut-2-enyl]-3-methylpiperidine
SMILESC=C/C(=C\C)CN1CCCC(C)C1
InChIInChI=1S/C12H21N/c1-4-12(5-2)10-13-8-6-7-11(3)9-13/h4-5,11H,1,6-10H2,2-3H3/b12-5+
InChIKeyIBZZLUNKAJLBLT-LFYBBSHMSA-N
MW179.31 g/mol
LogP2.85
Rot. Bonds3

About 1-[(E)-2-ethenylbut-2-enyl]-3-methylpiperidine

1-[(E)-2-ethenylbut-2-enyl]-3-methylpiperidine (PubChem CID 144825282) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-[(E)-2-ethenylbut-2-enyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[(E)-2-ethenylbut-2-enyl]-3-methylpiperidine
PubChem CID144825282
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-[(E)-2-ethenylbut-2-enyl]-3-methylpiperidine
SMILESC=C/C(=C\C)CN1CCCC(C)C1
InChIInChI=1S/C12H21N/c1-4-12(5-2)10-13-8-6-7-11(3)9-13/h4-5,11H,1,6-10H2,2-3H3/b12-5+
InChIKeyIBZZLUNKAJLBLT-LFYBBSHMSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.85
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

ethane;ethene;1-[(E)-2-ethenylbut-2-enyl]-4-methylpiperidine
CID 143302699
2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
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1-(3-methylpyrrolidin-1-yl)but-3-en-2-one
CID 167082770
1-(3-methylpiperidin-1-yl)butan-2-one
CID 62039923
1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone
CID 63914299
(3S)-3-methyl-1-(3-methylbut-2-enyl)piperidine
CID 130637645
N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]prop-2-enamide
CID 125422227
2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 51170634
3-methyl-1-propylpiperidine;propane
CID 145147959
ethane;3-methyl-1-propylpiperidine
CID 156729460
2-(3-methylpiperidin-1-yl)acetohydrazide
CID 43906557
ethane;1-ethyl-3-methylpiperidine
CID 91361629

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-ethenylbut-2-enyl]-3-methylpiperidine?
The IUPAC name of 1-[(E)-2-ethenylbut-2-enyl]-3-methylpiperidine (CID 144825282) is 1-[(E)-2-ethenylbut-2-enyl]-3-methylpiperidine.
What is the SMILES notation for 1-[(E)-2-ethenylbut-2-enyl]-3-methylpiperidine?
The canonical SMILES for 1-[(E)-2-ethenylbut-2-enyl]-3-methylpiperidine is C=C/C(=C\C)CN1CCCC(C)C1.
What is the InChIKey of 1-[(E)-2-ethenylbut-2-enyl]-3-methylpiperidine?
The InChIKey is IBZZLUNKAJLBLT-LFYBBSHMSA-N. The full InChI is InChI=1S/C12H21N/c1-4-12(5-2)10-13-8-6-7-11(3)9-13/h4-5,11H,1,6-10H2,2-3H3/b12-5+.
What are the key properties of 1-[(E)-2-ethenylbut-2-enyl]-3-methylpiperidine?
1-[(E)-2-ethenylbut-2-enyl]-3-methylpiperidine has a molecular weight of 179.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-ethenylbut-2-enyl]-3-methylpiperidine is sourced from PubChem (CID 144825282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).