4-[(E)-but-2-enyl]-1-methylpiperidine

C10H19N — CID 176646253

IUPAC4-[(E)-but-2-enyl]-1-methylpiperidine
SMILESC/C=C/CC1CCN(C)CC1
InChIInChI=1S/C10H19N/c1-3-4-5-10-6-8-11(2)9-7-10/h3-4,10H,5-9H2,1-2H3/b4-3+
InChIKeyFGQMNGFAUCJPJD-ONEGZZNKSA-N
MW153.27 g/mol
LogP2.29
Rot. Bonds2

About 4-[(E)-but-2-enyl]-1-methylpiperidine

4-[(E)-but-2-enyl]-1-methylpiperidine (PubChem CID 176646253) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 4-[(E)-but-2-enyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(E)-but-2-enyl]-1-methylpiperidine
PubChem CID176646253
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name4-[(E)-but-2-enyl]-1-methylpiperidine
SMILESC/C=C/CC1CCN(C)CC1
InChIInChI=1S/C10H19N/c1-3-4-5-10-6-8-11(2)9-7-10/h3-4,10H,5-9H2,1-2H3/b4-3+
InChIKeyFGQMNGFAUCJPJD-ONEGZZNKSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.29
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

(E)-N-[(1-methylpiperidin-4-yl)methyl]but-2-en-1-amine
CID 107898886
(Z)-5-(1-methylpiperidin-4-yl)pent-3-enoic acid
CID 117267490
methyl (Z)-4-(1-methylpiperidin-4-yl)but-2-enoate
CID 117266148
1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane
CID 173281967
4-[(E)-but-2-enyl]oxane
CID 166726041
1-methyl-4-[(1-methylpiperidin-4-yl)methoxymethyl]piperidine
CID 142760200
4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidine
CID 126516806
1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane
CID 20734074
1-methyl-4-[(E)-8-(1-methylpiperidin-4-yl)oct-6-en-3-yl]piperazine
CID 170361831
N-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine
CID 107898844
(Z)-5-(1-methylpyrrolidin-3-yl)pent-3-en-1-amine
CID 117267401
1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 173281367

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enyl]-1-methylpiperidine?
The IUPAC name of 4-[(E)-but-2-enyl]-1-methylpiperidine (CID 176646253) is 4-[(E)-but-2-enyl]-1-methylpiperidine.
What is the SMILES notation for 4-[(E)-but-2-enyl]-1-methylpiperidine?
The canonical SMILES for 4-[(E)-but-2-enyl]-1-methylpiperidine is C/C=C/CC1CCN(C)CC1.
What is the InChIKey of 4-[(E)-but-2-enyl]-1-methylpiperidine?
The InChIKey is FGQMNGFAUCJPJD-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H19N/c1-3-4-5-10-6-8-11(2)9-7-10/h3-4,10H,5-9H2,1-2H3/b4-3+.
What are the key properties of 4-[(E)-but-2-enyl]-1-methylpiperidine?
4-[(E)-but-2-enyl]-1-methylpiperidine has a molecular weight of 153.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enyl]-1-methylpiperidine is sourced from PubChem (CID 176646253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).