1-(4-methyl-1-prop-2-enylimidazol-2-yl)-4-pyrrolidin-2-ylpiperidine

C16H26N4 — CID 106552601

IUPAC1-(4-methyl-1-prop-2-enylimidazol-2-yl)-4-pyrrolidin-2-ylpiperidine
SMILESC=CCn1cc(C)nc1N1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H26N4/c1-3-9-20-12-13(2)18-16(20)19-10-6-14(7-11-19)15-5-4-8-17-15/h3,12,14-15,17H,1,4-11H2,2H3
InChIKeyMPPGCYQMKSUJRQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.35
Rot. Bonds4

About 1-(4-methyl-1-prop-2-enylimidazol-2-yl)-4-pyrrolidin-2-ylpiperidine

1-(4-methyl-1-prop-2-enylimidazol-2-yl)-4-pyrrolidin-2-ylpiperidine (PubChem CID 106552601) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(4-methyl-1-prop-2-enylimidazol-2-yl)-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(4-methyl-1-prop-2-enylimidazol-2-yl)-4-pyrrolidin-2-ylpiperidine
PubChem CID106552601
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-(4-methyl-1-prop-2-enylimidazol-2-yl)-4-pyrrolidin-2-ylpiperidine
SMILESC=CCn1cc(C)nc1N1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H26N4/c1-3-9-20-12-13(2)18-16(20)19-10-6-14(7-11-19)15-5-4-8-17-15/h3,12,14-15,17H,1,4-11H2,2H3
InChIKeyMPPGCYQMKSUJRQ-UHFFFAOYSA-N
XLogP2.35
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-methyl-1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperazine
CID 106553892
1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
CID 106552451
(4aS,7aS)-6-(4-ethyl-1-prop-2-enylimidazol-2-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 106553822
3-[1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine
CID 106553104
[1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine
CID 106553383
3-methyl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
CID 63257237
4-methyl-2-propan-2-yl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 63257362
2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 55167443
(4aS,7aS)-6-prop-2-enyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682841
2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine
CID 63257412
4-methyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine
CID 63257496
5-methoxy-2-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine
CID 106660829

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1-prop-2-enylimidazol-2-yl)-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(4-methyl-1-prop-2-enylimidazol-2-yl)-4-pyrrolidin-2-ylpiperidine (CID 106552601) is 1-(4-methyl-1-prop-2-enylimidazol-2-yl)-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(4-methyl-1-prop-2-enylimidazol-2-yl)-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(4-methyl-1-prop-2-enylimidazol-2-yl)-4-pyrrolidin-2-ylpiperidine is C=CCn1cc(C)nc1N1CCC(C2CCCN2)CC1.
What is the InChIKey of 1-(4-methyl-1-prop-2-enylimidazol-2-yl)-4-pyrrolidin-2-ylpiperidine?
The InChIKey is MPPGCYQMKSUJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-9-20-12-13(2)18-16(20)19-10-6-14(7-11-19)15-5-4-8-17-15/h3,12,14-15,17H,1,4-11H2,2H3.
What are the key properties of 1-(4-methyl-1-prop-2-enylimidazol-2-yl)-4-pyrrolidin-2-ylpiperidine?
1-(4-methyl-1-prop-2-enylimidazol-2-yl)-4-pyrrolidin-2-ylpiperidine has a molecular weight of 274.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1-prop-2-enylimidazol-2-yl)-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 106552601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).