1-but-2-enyl-4-methylpiperidine

C10H19N — CID 54386399

IUPAC1-but-2-enyl-4-methylpiperidine
SMILESCC=CCN1CCC(C)CC1
InChIInChI=1S/C10H19N/c1-3-4-7-11-8-5-10(2)6-9-11/h3-4,10H,5-9H2,1-2H3
InChIKeyVDNUDCBMMGNRPV-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.29
Rot. Bonds2

About 1-but-2-enyl-4-methylpiperidine

1-but-2-enyl-4-methylpiperidine (PubChem CID 54386399) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-but-2-enyl-4-methylpiperidine.

Molecular Properties

Compound Name1-but-2-enyl-4-methylpiperidine
PubChem CID54386399
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-but-2-enyl-4-methylpiperidine
SMILESCC=CCN1CCC(C)CC1
InChIInChI=1S/C10H19N/c1-3-4-7-11-8-5-10(2)6-9-11/h3-4,10H,5-9H2,1-2H3
InChIKeyVDNUDCBMMGNRPV-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-but-2-enyl-4-methylpiperidine?
The IUPAC name of 1-but-2-enyl-4-methylpiperidine (CID 54386399) is 1-but-2-enyl-4-methylpiperidine.
What is the SMILES notation for 1-but-2-enyl-4-methylpiperidine?
The canonical SMILES for 1-but-2-enyl-4-methylpiperidine is CC=CCN1CCC(C)CC1.
What is the InChIKey of 1-but-2-enyl-4-methylpiperidine?
The InChIKey is VDNUDCBMMGNRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-3-4-7-11-8-5-10(2)6-9-11/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 1-but-2-enyl-4-methylpiperidine?
1-but-2-enyl-4-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 1-but-2-enyl-4-methylpiperidine is sourced from PubChem (CID 54386399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).