2-(3-chlorophenyl)-2-ethylpiperidine

C13H18ClN — CID 115058675

IUPAC2-(3-chlorophenyl)-2-ethylpiperidine
SMILESCCC1(c2cccc(Cl)c2)CCCCN1
InChIInChI=1S/C13H18ClN/c1-2-13(8-3-4-9-15-13)11-6-5-7-12(14)10-11/h5-7,10,15H,2-4,8-9H2,1H3
InChIKeyNFCJOYFDXYJRKK-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.72
Rot. Bonds2

About 2-(3-chlorophenyl)-2-ethylpiperidine

2-(3-chlorophenyl)-2-ethylpiperidine (PubChem CID 115058675) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-ethylpiperidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-ethylpiperidine
PubChem CID115058675
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name2-(3-chlorophenyl)-2-ethylpiperidine
SMILESCCC1(c2cccc(Cl)c2)CCCCN1
InChIInChI=1S/C13H18ClN/c1-2-13(8-3-4-9-15-13)11-6-5-7-12(14)10-11/h5-7,10,15H,2-4,8-9H2,1H3
InChIKeyNFCJOYFDXYJRKK-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-naphthalen-2-ylazepane
CID 79119079
2-(3-chlorophenyl)-2-propan-2-ylpiperidine
CID 115058678
2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine
CID 66465325
2-(3-bromophenyl)-2-propylpiperidine
CID 115058689
5-(3-chlorophenyl)-5-ethyl-1,4-dihydroimidazol-2-amine
CID 79510115
2-ethyl-2-(4-ethylphenyl)azepane
CID 79116595
3-(3-chlorophenyl)-3-ethylpiperazin-2-one
CID 62352117
2-(methoxymethyl)-2-(3-methylphenyl)piperidine
CID 117272068
2-phenyl-2-propylazepane
CID 79117631
2-(2,2-dimethylpropyl)-2-(3-methylphenyl)azepane
CID 115059409
2-ethyl-2-(3-fluoro-5-methylphenyl)azepane
CID 79704729
2-ethyl-2-(4-ethylphenyl)pyrrolidine
CID 66467145

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-ethylpiperidine?
The IUPAC name of 2-(3-chlorophenyl)-2-ethylpiperidine (CID 115058675) is 2-(3-chlorophenyl)-2-ethylpiperidine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-ethylpiperidine?
The canonical SMILES for 2-(3-chlorophenyl)-2-ethylpiperidine is CCC1(c2cccc(Cl)c2)CCCCN1.
What is the InChIKey of 2-(3-chlorophenyl)-2-ethylpiperidine?
The InChIKey is NFCJOYFDXYJRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-2-13(8-3-4-9-15-13)11-6-5-7-12(14)10-11/h5-7,10,15H,2-4,8-9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-2-ethylpiperidine?
2-(3-chlorophenyl)-2-ethylpiperidine has a molecular weight of 223.75 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-ethylpiperidine is sourced from PubChem (CID 115058675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).