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

C16H20ClN3 — CID 114704865

IUPAC3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
SMILESClc1ccc(CCn2cncc2C2CCCNC2)cc1
InChIInChI=1S/C16H20ClN3/c17-15-5-3-13(4-6-15)7-9-20-12-19-11-16(20)14-2-1-8-18-10-14/h3-6,11-12,14,18H,1-2,7-10H2
InChIKeyHJQJWIKGEZWVOC-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.25
Rot. Bonds4

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

3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine (PubChem CID 114704865) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
PubChem CID114704865
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
SMILESClc1ccc(CCn2cncc2C2CCCNC2)cc1
InChIInChI=1S/C16H20ClN3/c17-15-5-3-13(4-6-15)7-9-20-12-19-11-16(20)14-2-1-8-18-10-14/h3-6,11-12,14,18H,1-2,7-10H2
InChIKeyHJQJWIKGEZWVOC-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-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114703121
4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704864
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968
3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine
CID 114704736
3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
CID 107854548
3-(3-butylimidazol-4-yl)piperidine
CID 114702793
N,N-dimethyl-2-(5-piperidin-3-ylimidazol-1-yl)ethanamine
CID 114703731
1-[2-(5-piperidin-3-ylimidazol-1-yl)ethyl]piperidine
CID 114704706
3-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
CID 106261736
3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine
CID 114704979
3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine
CID 114706511
3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine
CID 114706130

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine (CID 114704865) is 3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine is Clc1ccc(CCn2cncc2C2CCCNC2)cc1.
What is the InChIKey of 3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine?
The InChIKey is HJQJWIKGEZWVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c17-15-5-3-13(4-6-15)7-9-20-12-19-11-16(20)14-2-1-8-18-10-14/h3-6,11-12,14,18H,1-2,7-10H2.
What are the key properties of 3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine?
3-[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 3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine is sourced from PubChem (CID 114704865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).