4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine

C16H20ClN3 — CID 114704864

IUPAC4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
SMILESClc1ccc(CCn2cncc2C2CCNCC2)cc1
InChIInChI=1S/C16H20ClN3/c17-15-3-1-13(2-4-15)7-10-20-12-19-11-16(20)14-5-8-18-9-6-14/h1-4,11-12,14,18H,5-10H2
InChIKeyYEBSBCXXTHGVFD-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.25
Rot. Bonds4

About 4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine

4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine (PubChem CID 114704864) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
PubChem CID114704864
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
SMILESClc1ccc(CCn2cncc2C2CCNCC2)cc1
InChIInChI=1S/C16H20ClN3/c17-15-3-1-13(2-4-15)7-10-20-12-19-11-16(20)14-5-8-18-9-6-14/h1-4,11-12,14,18H,5-10H2
InChIKeyYEBSBCXXTHGVFD-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704865
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968
2-chloro-5-[2-(5-cyclopropylimidazol-1-yl)ethyl]pyridine
CID 116811691
4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine
CID 106106979
4-[(5-piperidin-4-ylimidazol-1-yl)methyl]pyridine
CID 114703940
4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine
CID 114702647
3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114703121
4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine
CID 114112555
N-ethyl-N-methyl-2-(5-piperidin-4-ylimidazol-1-yl)ethanamine
CID 114705667
4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine
CID 107490004
1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one
CID 114707224
5-cyclopropyl-1-[(4-fluorophenyl)methyl]imidazole
CID 116811649

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine?
The IUPAC name of 4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine (CID 114704864) is 4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine?
The canonical SMILES for 4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine is Clc1ccc(CCn2cncc2C2CCNCC2)cc1.
What is the InChIKey of 4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine?
The InChIKey is YEBSBCXXTHGVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c17-15-3-1-13(2-4-15)7-10-20-12-19-11-16(20)14-5-8-18-9-6-14/h1-4,11-12,14,18H,5-10H2.
What are the key properties of 4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine?
4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine has a molecular weight of 289.81 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine is sourced from PubChem (CID 114704864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).