3-(1H-imidazol-2-ylmethylidene)piperidine

C9H13N3 — CID 141119325

IUPAC3-(1H-imidazol-2-ylmethylidene)piperidine
SMILESC(=C1CCCNC1)c1ncc[nH]1
InChIInChI=1S/C9H13N3/c1-2-8(7-10-3-1)6-9-11-4-5-12-9/h4-6,10H,1-3,7H2,(H,11,12)
InChIKeyQXSHNAFSQQAEQV-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.18
Rot. Bonds1

About 3-(1H-imidazol-2-ylmethylidene)piperidine

3-(1H-imidazol-2-ylmethylidene)piperidine (PubChem CID 141119325) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-(1H-imidazol-2-ylmethylidene)piperidine.

Molecular Properties

Compound Name3-(1H-imidazol-2-ylmethylidene)piperidine
PubChem CID141119325
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3-(1H-imidazol-2-ylmethylidene)piperidine
SMILESC(=C1CCCNC1)c1ncc[nH]1
InChIInChI=1S/C9H13N3/c1-2-8(7-10-3-1)6-9-11-4-5-12-9/h4-6,10H,1-3,7H2,(H,11,12)
InChIKeyQXSHNAFSQQAEQV-UHFFFAOYSA-N
XLogP1.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[5-(1H-imidazol-2-ylmethylidene)cyclohex-2-en-1-ylidene]methyl]-1H-imidazole
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(3E)-3-ethylidenepiperidine
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3-[(2,5-dimethylphenyl)methylidene]piperidine
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(3E)-3-(2,2-dimethylpropylidene)piperidine
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3-propylidenepiperidine
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CID 79879469
1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepine
CID 58443090
3-(1H-imidazol-2-yl)piperidine
CID 13281195
(Z)-3-(1H-imidazol-2-yl)prop-2-enoic acid
CID 53230707
2-(1H-imidazol-2-yl)ethenylideneazanide
CID 101390804
1-[2-(1H-imidazol-2-yl)ethenyl]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-ylmethylidene)piperidine?
The IUPAC name of 3-(1H-imidazol-2-ylmethylidene)piperidine (CID 141119325) is 3-(1H-imidazol-2-ylmethylidene)piperidine.
What is the SMILES notation for 3-(1H-imidazol-2-ylmethylidene)piperidine?
The canonical SMILES for 3-(1H-imidazol-2-ylmethylidene)piperidine is C(=C1CCCNC1)c1ncc[nH]1.
What is the InChIKey of 3-(1H-imidazol-2-ylmethylidene)piperidine?
The InChIKey is QXSHNAFSQQAEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-8(7-10-3-1)6-9-11-4-5-12-9/h4-6,10H,1-3,7H2,(H,11,12).
What are the key properties of 3-(1H-imidazol-2-ylmethylidene)piperidine?
3-(1H-imidazol-2-ylmethylidene)piperidine has a molecular weight of 163.22 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-ylmethylidene)piperidine is sourced from PubChem (CID 141119325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).