4-(1-prop-2-enylimidazol-2-yl)piperidine

C11H17N3 — CID 84733038

IUPAC4-(1-prop-2-enylimidazol-2-yl)piperidine
SMILESC=CCn1ccnc1C1CCNCC1
InChIInChI=1S/C11H17N3/c1-2-8-14-9-7-13-11(14)10-3-5-12-6-4-10/h2,7,9-10,12H,1,3-6,8H2
InChIKeyMVFOTODJQSMAMY-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.54
Rot. Bonds3

About 4-(1-prop-2-enylimidazol-2-yl)piperidine

4-(1-prop-2-enylimidazol-2-yl)piperidine (PubChem CID 84733038) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-(1-prop-2-enylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name4-(1-prop-2-enylimidazol-2-yl)piperidine
PubChem CID84733038
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-(1-prop-2-enylimidazol-2-yl)piperidine
SMILESC=CCn1ccnc1C1CCNCC1
InChIInChI=1S/C11H17N3/c1-2-8-14-9-7-13-11(14)10-3-5-12-6-4-10/h2,7,9-10,12H,1,3-6,8H2
InChIKeyMVFOTODJQSMAMY-UHFFFAOYSA-N
XLogP1.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine
CID 75485601
4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride
CID 75485592
5-(1-prop-2-enylimidazol-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106553003
2-(2-cyclopropylimidazol-1-yl)acetic acid
CID 82560357
2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine
CID 120869704
N-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
CID 106553425
N-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine
CID 106563824
N,4-dimethyl-N-(piperidin-4-ylmethyl)-1-prop-2-enylimidazol-2-amine
CID 106553039
8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine
CID 84700451
N-piperidin-4-yl-N-prop-2-enylpyrimidin-2-amine;hydrochloride
CID 18374674
N-ethyl-N-(1-prop-2-enylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 106552136
4-[(2-cyclopropylimidazol-1-yl)methyl]benzonitrile
CID 82561564

Frequently Asked Questions

What is the IUPAC name of 4-(1-prop-2-enylimidazol-2-yl)piperidine?
The IUPAC name of 4-(1-prop-2-enylimidazol-2-yl)piperidine (CID 84733038) is 4-(1-prop-2-enylimidazol-2-yl)piperidine.
What is the SMILES notation for 4-(1-prop-2-enylimidazol-2-yl)piperidine?
The canonical SMILES for 4-(1-prop-2-enylimidazol-2-yl)piperidine is C=CCn1ccnc1C1CCNCC1.
What is the InChIKey of 4-(1-prop-2-enylimidazol-2-yl)piperidine?
The InChIKey is MVFOTODJQSMAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-8-14-9-7-13-11(14)10-3-5-12-6-4-10/h2,7,9-10,12H,1,3-6,8H2.
What are the key properties of 4-(1-prop-2-enylimidazol-2-yl)piperidine?
4-(1-prop-2-enylimidazol-2-yl)piperidine has a molecular weight of 191.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-prop-2-enylimidazol-2-yl)piperidine is sourced from PubChem (CID 84733038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).