2-methyl-6-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine

C16H28N4 — CID 114719364

IUPAC2-methyl-6-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine
SMILESCC1CCCC(c2cncn2C(C)CN2CCCC2)N1
InChIInChI=1S/C16H28N4/c1-13-6-5-7-15(18-13)16-10-17-12-20(16)14(2)11-19-8-3-4-9-19/h10,12-15,18H,3-9,11H2,1-2H3
InChIKeyPSAKCOUDHVPSLM-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.74
Rot. Bonds4

About 2-methyl-6-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine

2-methyl-6-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine (PubChem CID 114719364) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-methyl-6-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-methyl-6-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine
PubChem CID114719364
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-methyl-6-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine
SMILESCC1CCCC(c2cncn2C(C)CN2CCCC2)N1
InChIInChI=1S/C16H28N4/c1-13-6-5-7-15(18-13)16-10-17-12-20(16)14(2)11-19-8-3-4-9-19/h10,12-15,18H,3-9,11H2,1-2H3
InChIKeyPSAKCOUDHVPSLM-UHFFFAOYSA-N
XLogP2.74
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(3-pentan-2-ylimidazol-4-yl)piperidine
CID 114716663
2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine
CID 114721475
2-[3-(dicyclopropylmethyl)imidazol-4-yl]-6-methylpiperidine
CID 114719576
3-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine
CID 114705204
2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine
CID 114716386
2-methyl-6-[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114719209
2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine
CID 114719041
2-methyl-6-[3-(2-methylcyclopentyl)imidazol-4-yl]piperidine
CID 114720496
2-methyl-6-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine
CID 114717087
2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine
CID 114717939
2-methyl-N-[[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]methyl]propan-2-amine
CID 66146334
2-methyl-6-[3-(oxan-4-ylmethyl)imidazol-4-yl]piperidine
CID 114720357

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine?
The IUPAC name of 2-methyl-6-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine (CID 114719364) is 2-methyl-6-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine.
What is the SMILES notation for 2-methyl-6-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine?
The canonical SMILES for 2-methyl-6-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine is CC1CCCC(c2cncn2C(C)CN2CCCC2)N1.
What is the InChIKey of 2-methyl-6-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine?
The InChIKey is PSAKCOUDHVPSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13-6-5-7-15(18-13)16-10-17-12-20(16)14(2)11-19-8-3-4-9-19/h10,12-15,18H,3-9,11H2,1-2H3.
What are the key properties of 2-methyl-6-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine?
2-methyl-6-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine has a molecular weight of 276.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114719364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).