1-but-3-en-2-yl-4-ethyl-4-methylpiperidine

C12H23N — CID 130841239

IUPAC1-but-3-en-2-yl-4-ethyl-4-methylpiperidine
SMILESC=CC(C)N1CCC(C)(CC)CC1
InChIInChI=1S/C12H23N/c1-5-11(3)13-9-7-12(4,6-2)8-10-13/h5,11H,1,6-10H2,2-4H3
InChIKeyBVWQHEJCQXVDAA-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.07
Rot. Bonds3

About 1-but-3-en-2-yl-4-ethyl-4-methylpiperidine

1-but-3-en-2-yl-4-ethyl-4-methylpiperidine (PubChem CID 130841239) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-but-3-en-2-yl-4-ethyl-4-methylpiperidine.

Molecular Properties

Compound Name1-but-3-en-2-yl-4-ethyl-4-methylpiperidine
PubChem CID130841239
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-but-3-en-2-yl-4-ethyl-4-methylpiperidine
SMILESC=CC(C)N1CCC(C)(CC)CC1
InChIInChI=1S/C12H23N/c1-5-11(3)13-9-7-12(4,6-2)8-10-13/h5,11H,1,6-10H2,2-4H3
InChIKeyBVWQHEJCQXVDAA-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Fluoro-1-propan-2-yl-4-prop-2-enylpiperidine
CID 163822521
1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine
CID 174254467
1-But-3-en-2-yl-3,3-difluoro-4-methylpiperidine
CID 126992135
1-But-3-en-2-yl-4-(difluoromethyl)piperidine
CID 131131655
Piperidine, 1-(1-methyl-2-propenyl)-
CID 11240526
3-But-3-enyl-1,3-dimethylpiperidine
CID 14225211
4,4-Dimethyl-1-prop-2-enylpiperidine
CID 18722910
2-Ethenyl-5-ethyl-1-methylpiperidine
CID 20481888
(2S,5R)-2-ethenyl-1,5-dimethylpiperidine
CID 57699444
4-Ethenyl-1-propan-2-ylpiperidine
CID 58550018
1-But-3-enyl-1,4-dimethylpiperidin-1-ium
CID 58772986
1-But-3-enyl-4-ethyl-1-methylpiperidin-1-ium
CID 58772991

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-4-ethyl-4-methylpiperidine?
The IUPAC name of 1-but-3-en-2-yl-4-ethyl-4-methylpiperidine (CID 130841239) is 1-but-3-en-2-yl-4-ethyl-4-methylpiperidine.
What is the SMILES notation for 1-but-3-en-2-yl-4-ethyl-4-methylpiperidine?
The canonical SMILES for 1-but-3-en-2-yl-4-ethyl-4-methylpiperidine is C=CC(C)N1CCC(C)(CC)CC1.
What is the InChIKey of 1-but-3-en-2-yl-4-ethyl-4-methylpiperidine?
The InChIKey is BVWQHEJCQXVDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-11(3)13-9-7-12(4,6-2)8-10-13/h5,11H,1,6-10H2,2-4H3.
What are the key properties of 1-but-3-en-2-yl-4-ethyl-4-methylpiperidine?
1-but-3-en-2-yl-4-ethyl-4-methylpiperidine has a molecular weight of 181.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-4-ethyl-4-methylpiperidine is sourced from PubChem (CID 130841239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).