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

C14H16ClN3 — CID 114702647

IUPAC4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine
SMILESClc1ccc(-n2cncc2C2CCNCC2)cc1
InChIInChI=1S/C14H16ClN3/c15-12-1-3-13(4-2-12)18-10-17-9-14(18)11-5-7-16-8-6-11/h1-4,9-11,16H,5-8H2
InChIKeyPDSGXHPREYTJJV-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.99
Rot. Bonds2

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

4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine (PubChem CID 114702647) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine
PubChem CID114702647
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine
SMILESClc1ccc(-n2cncc2C2CCNCC2)cc1
InChIInChI=1S/C14H16ClN3/c15-12-1-3-13(4-2-12)18-10-17-9-14(18)11-5-7-16-8-6-11/h1-4,9-11,16H,5-8H2
InChIKeyPDSGXHPREYTJJV-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine
CID 114702984
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
4-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]piperidine
CID 114703013
4-[3-(2-fluorophenyl)imidazol-4-yl]piperidine
CID 114703452
4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704864
4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine
CID 114706284
1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114717611
4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine
CID 114703213
3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine
CID 114702820
3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703474
3-[3-(4-bromophenyl)imidazol-4-yl]piperidine
CID 114703751
4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703160

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine?
The IUPAC name of 4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine (CID 114702647) is 4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine?
The canonical SMILES for 4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine is Clc1ccc(-n2cncc2C2CCNCC2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine?
The InChIKey is PDSGXHPREYTJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-12-1-3-13(4-2-12)18-10-17-9-14(18)11-5-7-16-8-6-11/h1-4,9-11,16H,5-8H2.
What are the key properties of 4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine?
4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine has a molecular weight of 261.76 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114702647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).