1-[(1-methylimidazol-2-yl)methyl]-2,2-bis(prop-2-enyl)piperidine

C16H25N3 — CID 47000028

IUPAC1-[(1-methylimidazol-2-yl)methyl]-2,2-bis(prop-2-enyl)piperidine
SMILESC=CCC1(CC=C)CCCCN1Cc1nccn1C
InChIInChI=1S/C16H25N3/c1-4-8-16(9-5-2)10-6-7-12-19(16)14-15-17-11-13-18(15)3/h4-5,11,13H,1-2,6-10,12,14H2,3H3
InChIKeyVMOOEJMGPOPIJX-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.30
Rot. Bonds6

About 1-[(1-methylimidazol-2-yl)methyl]-2,2-bis(prop-2-enyl)piperidine

1-[(1-methylimidazol-2-yl)methyl]-2,2-bis(prop-2-enyl)piperidine (PubChem CID 47000028) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]-2,2-bis(prop-2-enyl)piperidine.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]-2,2-bis(prop-2-enyl)piperidine
PubChem CID47000028
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]-2,2-bis(prop-2-enyl)piperidine
SMILESC=CCC1(CC=C)CCCCN1Cc1nccn1C
InChIInChI=1S/C16H25N3/c1-4-8-16(9-5-2)10-6-7-12-19(16)14-15-17-11-13-18(15)3/h4-5,11,13H,1-2,6-10,12,14H2,3H3
InChIKeyVMOOEJMGPOPIJX-UHFFFAOYSA-N
XLogP3.30
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(1-methylimidazol-2-yl)methyl]-2,2-bis(prop-2-enyl)piperidine?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-2,2-bis(prop-2-enyl)piperidine (CID 47000028) is 1-[(1-methylimidazol-2-yl)methyl]-2,2-bis(prop-2-enyl)piperidine.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]-2,2-bis(prop-2-enyl)piperidine?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]-2,2-bis(prop-2-enyl)piperidine is C=CCC1(CC=C)CCCCN1Cc1nccn1C.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]-2,2-bis(prop-2-enyl)piperidine?
The InChIKey is VMOOEJMGPOPIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-8-16(9-5-2)10-6-7-12-19(16)14-15-17-11-13-18(15)3/h4-5,11,13H,1-2,6-10,12,14H2,3H3.
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]-2,2-bis(prop-2-enyl)piperidine?
1-[(1-methylimidazol-2-yl)methyl]-2,2-bis(prop-2-enyl)piperidine has a molecular weight of 259.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]-2,2-bis(prop-2-enyl)piperidine is sourced from PubChem (CID 47000028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).