4-[2-(4-chloro-2-phenylimidazol-1-yl)ethyl]piperidine

C16H20ClN3 — CID 174431690

IUPAC4-[2-(4-chloro-2-phenylimidazol-1-yl)ethyl]piperidine
SMILESClc1cn(CCC2CCNCC2)c(-c2ccccc2)n1
InChIInChI=1S/C16H20ClN3/c17-15-12-20(11-8-13-6-9-18-10-7-13)16(19-15)14-4-2-1-3-5-14/h1-5,12-13,18H,6-11H2
InChIKeyHTESKRJKPLHOER-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.59
Rot. Bonds4

About 4-[2-(4-chloro-2-phenylimidazol-1-yl)ethyl]piperidine

4-[2-(4-chloro-2-phenylimidazol-1-yl)ethyl]piperidine (PubChem CID 174431690) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 4-[2-(4-chloro-2-phenylimidazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-chloro-2-phenylimidazol-1-yl)ethyl]piperidine
PubChem CID174431690
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name4-[2-(4-chloro-2-phenylimidazol-1-yl)ethyl]piperidine
SMILESClc1cn(CCC2CCNCC2)c(-c2ccccc2)n1
InChIInChI=1S/C16H20ClN3/c17-15-12-20(11-8-13-6-9-18-10-7-13)16(19-15)14-4-2-1-3-5-14/h1-5,12-13,18H,6-11H2
InChIKeyHTESKRJKPLHOER-UHFFFAOYSA-N
XLogP3.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-2-phenylimidazol-1-yl)ethyl]piperidine?
The IUPAC name of 4-[2-(4-chloro-2-phenylimidazol-1-yl)ethyl]piperidine (CID 174431690) is 4-[2-(4-chloro-2-phenylimidazol-1-yl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(4-chloro-2-phenylimidazol-1-yl)ethyl]piperidine?
The canonical SMILES for 4-[2-(4-chloro-2-phenylimidazol-1-yl)ethyl]piperidine is Clc1cn(CCC2CCNCC2)c(-c2ccccc2)n1.
What is the InChIKey of 4-[2-(4-chloro-2-phenylimidazol-1-yl)ethyl]piperidine?
The InChIKey is HTESKRJKPLHOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c17-15-12-20(11-8-13-6-9-18-10-7-13)16(19-15)14-4-2-1-3-5-14/h1-5,12-13,18H,6-11H2.
What are the key properties of 4-[2-(4-chloro-2-phenylimidazol-1-yl)ethyl]piperidine?
4-[2-(4-chloro-2-phenylimidazol-1-yl)ethyl]piperidine has a molecular weight of 289.81 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-2-phenylimidazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 174431690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).