3-[(1-methylimidazol-2-yl)methylidene]piperidine

C10H15N3 — CID 141119257

IUPAC3-[(1-methylimidazol-2-yl)methylidene]piperidine
SMILESCn1ccnc1C=C1CCCNC1
InChIInChI=1S/C10H15N3/c1-13-6-5-12-10(13)7-9-3-2-4-11-8-9/h5-7,11H,2-4,8H2,1H3
InChIKeyFJCHJHDNCRNJHA-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.19
Rot. Bonds1

About 3-[(1-methylimidazol-2-yl)methylidene]piperidine

3-[(1-methylimidazol-2-yl)methylidene]piperidine (PubChem CID 141119257) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-[(1-methylimidazol-2-yl)methylidene]piperidine.

Molecular Properties

Compound Name3-[(1-methylimidazol-2-yl)methylidene]piperidine
PubChem CID141119257
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-[(1-methylimidazol-2-yl)methylidene]piperidine
SMILESCn1ccnc1C=C1CCCNC1
InChIInChI=1S/C10H15N3/c1-13-6-5-12-10(13)7-9-3-2-4-11-8-9/h5-7,11H,2-4,8H2,1H3
InChIKeyFJCHJHDNCRNJHA-UHFFFAOYSA-N
XLogP1.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Subsituted 1H-imidazole, 14
CID 25116047
2-Subsituted 1H-imidazole, 23
CID 57339816
3-(2-methyl-1H-imidazol-1-yl)piperidine
CID 54592638
4-(1-Methyl-1h-imidazol-2-yl)-1,2,3,6-tetrahydropyridine dihydrochloride
CID 145867266
Cyclohex-3-enylmethyl-(3-imidazol-1-yl-propyl)-amine
CID 3152363
1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole
CID 10954357
N-geranylimidazol
CID 13309275
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,6-dimethylcyclohex-2-en-1-yl)methanamine
CID 86799407
3-[2-(Cyclohexen-1-yl)ethyl]-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 122134309
N-propyl-1-[(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)methyl]imidazol-4-amine
CID 134525325
4-[1-[2-(Fluoromethyl)imidazol-1-yl]ethyl]cyclohex-2-en-1-amine
CID 174262975
(1H-imidazol-2-ylmethyl){[(4S)-4-isopropenylcyclohex-1-en-1-yl]methyl}methylamine
CID 50963651

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazol-2-yl)methylidene]piperidine?
The IUPAC name of 3-[(1-methylimidazol-2-yl)methylidene]piperidine (CID 141119257) is 3-[(1-methylimidazol-2-yl)methylidene]piperidine.
What is the SMILES notation for 3-[(1-methylimidazol-2-yl)methylidene]piperidine?
The canonical SMILES for 3-[(1-methylimidazol-2-yl)methylidene]piperidine is Cn1ccnc1C=C1CCCNC1.
What is the InChIKey of 3-[(1-methylimidazol-2-yl)methylidene]piperidine?
The InChIKey is FJCHJHDNCRNJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-13-6-5-12-10(13)7-9-3-2-4-11-8-9/h5-7,11H,2-4,8H2,1H3.
What are the key properties of 3-[(1-methylimidazol-2-yl)methylidene]piperidine?
3-[(1-methylimidazol-2-yl)methylidene]piperidine has a molecular weight of 177.25 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazol-2-yl)methylidene]piperidine is sourced from PubChem (CID 141119257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).