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

C16H28N4 — CID 67112088

IUPAC4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
SMILESCCc1cn(CCN2CCCC2)c(C2CCNCC2)n1
InChIInChI=1S/C16H28N4/c1-2-15-13-20(12-11-19-9-3-4-10-19)16(18-15)14-5-7-17-8-6-14/h13-14,17H,2-12H2,1H3
InChIKeyYQWMTAJWVCXSMR-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.01
Rot. Bonds5

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

4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine (PubChem CID 67112088) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
PubChem CID67112088
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
SMILESCCc1cn(CCN2CCCC2)c(C2CCNCC2)n1
InChIInChI=1S/C16H28N4/c1-2-15-13-20(12-11-19-9-3-4-10-19)16(18-15)14-5-7-17-8-6-14/h13-14,17H,2-12H2,1H3
InChIKeyYQWMTAJWVCXSMR-UHFFFAOYSA-N
XLogP2.01
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine?
The IUPAC name of 4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine (CID 67112088) is 4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine.
What is the SMILES notation for 4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine?
The canonical SMILES for 4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine is CCc1cn(CCN2CCCC2)c(C2CCNCC2)n1.
What is the InChIKey of 4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine?
The InChIKey is YQWMTAJWVCXSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-2-15-13-20(12-11-19-9-3-4-10-19)16(18-15)14-5-7-17-8-6-14/h13-14,17H,2-12H2,1H3.
What are the key properties of 4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine?
4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine has a molecular weight of 276.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine is sourced from PubChem (CID 67112088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).