4-[4-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine

C18H32N4 — CID 67113242

IUPAC4-[4-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
SMILESCC(C)Cc1cn(CCN2CCCC2)c(C2CCNCC2)n1
InChIInChI=1S/C18H32N4/c1-15(2)13-17-14-22(12-11-21-9-3-4-10-21)18(20-17)16-5-7-19-8-6-16/h14-16,19H,3-13H2,1-2H3
InChIKeyMICNXUAFUQMJCF-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.64
Rot. Bonds6

About 4-[4-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine

4-[4-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine (PubChem CID 67113242) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
PubChem CID67113242
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name4-[4-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
SMILESCC(C)Cc1cn(CCN2CCCC2)c(C2CCNCC2)n1
InChIInChI=1S/C18H32N4/c1-15(2)13-17-14-22(12-11-21-9-3-4-10-21)18(20-17)16-5-7-19-8-6-16/h14-16,19H,3-13H2,1-2H3
InChIKeyMICNXUAFUQMJCF-UHFFFAOYSA-N
XLogP2.64
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine?
The IUPAC name of 4-[4-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine (CID 67113242) is 4-[4-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine.
What is the SMILES notation for 4-[4-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine?
The canonical SMILES for 4-[4-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine is CC(C)Cc1cn(CCN2CCCC2)c(C2CCNCC2)n1.
What is the InChIKey of 4-[4-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine?
The InChIKey is MICNXUAFUQMJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-15(2)13-17-14-22(12-11-21-9-3-4-10-21)18(20-17)16-5-7-19-8-6-16/h14-16,19H,3-13H2,1-2H3.
What are the key properties of 4-[4-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine?
4-[4-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine has a molecular weight of 304.48 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine is sourced from PubChem (CID 67113242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).