3-methyl-1-[(1-prop-2-enylimidazol-2-yl)methyl]piperidine

C13H21N3 — CID 66941207

IUPAC3-methyl-1-[(1-prop-2-enylimidazol-2-yl)methyl]piperidine
SMILESC=CCn1ccnc1CN1CCCC(C)C1
InChIInChI=1S/C13H21N3/c1-3-7-16-9-6-14-13(16)11-15-8-4-5-12(2)10-15/h3,6,9,12H,1,4-5,7-8,10-11H2,2H3
InChIKeyAWTJZCBLDNXRLR-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.30
Rot. Bonds4

About 3-methyl-1-[(1-prop-2-enylimidazol-2-yl)methyl]piperidine

3-methyl-1-[(1-prop-2-enylimidazol-2-yl)methyl]piperidine (PubChem CID 66941207) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-methyl-1-[(1-prop-2-enylimidazol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name3-methyl-1-[(1-prop-2-enylimidazol-2-yl)methyl]piperidine
PubChem CID66941207
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-methyl-1-[(1-prop-2-enylimidazol-2-yl)methyl]piperidine
SMILESC=CCn1ccnc1CN1CCCC(C)C1
InChIInChI=1S/C13H21N3/c1-3-7-16-9-6-14-13(16)11-15-8-4-5-12(2)10-15/h3,6,9,12H,1,4-5,7-8,10-11H2,2H3
InChIKeyAWTJZCBLDNXRLR-UHFFFAOYSA-N
XLogP2.30
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.30
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 3-methyl-1-[(1-prop-2-enylimidazol-2-yl)methyl]piperidine?
The IUPAC name of 3-methyl-1-[(1-prop-2-enylimidazol-2-yl)methyl]piperidine (CID 66941207) is 3-methyl-1-[(1-prop-2-enylimidazol-2-yl)methyl]piperidine.
What is the SMILES notation for 3-methyl-1-[(1-prop-2-enylimidazol-2-yl)methyl]piperidine?
The canonical SMILES for 3-methyl-1-[(1-prop-2-enylimidazol-2-yl)methyl]piperidine is C=CCn1ccnc1CN1CCCC(C)C1.
What is the InChIKey of 3-methyl-1-[(1-prop-2-enylimidazol-2-yl)methyl]piperidine?
The InChIKey is AWTJZCBLDNXRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-7-16-9-6-14-13(16)11-15-8-4-5-12(2)10-15/h3,6,9,12H,1,4-5,7-8,10-11H2,2H3.
What are the key properties of 3-methyl-1-[(1-prop-2-enylimidazol-2-yl)methyl]piperidine?
3-methyl-1-[(1-prop-2-enylimidazol-2-yl)methyl]piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-prop-2-enylimidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 66941207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).