1-(3-chlorophenyl)-4-ethylpiperidine

C13H18ClN — CID 178142093

IUPAC1-(3-chlorophenyl)-4-ethylpiperidine
SMILESCCC1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H18ClN/c1-2-11-6-8-15(9-7-11)13-5-3-4-12(14)10-13/h3-5,10-11H,2,6-9H2,1H3
InChIKeyAZKNYNYVXZDYNH-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.97
Rot. Bonds2

About 1-(3-chlorophenyl)-4-ethylpiperidine

1-(3-chlorophenyl)-4-ethylpiperidine (PubChem CID 178142093) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-ethylpiperidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-ethylpiperidine
PubChem CID178142093
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name1-(3-chlorophenyl)-4-ethylpiperidine
SMILESCCC1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H18ClN/c1-2-11-6-8-15(9-7-11)13-5-3-4-12(14)10-13/h3-5,10-11H,2,6-9H2,1H3
InChIKeyAZKNYNYVXZDYNH-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)azonane
CID 145391535
1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421832
1-(3-chlorophenyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 17153110
1-(3-chlorophenyl)-4-(cyclohexylmethyl)piperazin-4-ium
CID 6938406
methyl (3S)-1-(3-chlorophenyl)pyrrolidine-3-carboxylate
CID 124638264
5-chloro-2-(4-ethylazepan-1-yl)benzaldehyde
CID 114844366
[4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol
CID 114845335
ethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 17152941
N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152865
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine
CID 60866133
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
5-chloro-2-(4-ethylpiperidin-1-yl)benzonitrile
CID 55078571

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-ethylpiperidine?
The IUPAC name of 1-(3-chlorophenyl)-4-ethylpiperidine (CID 178142093) is 1-(3-chlorophenyl)-4-ethylpiperidine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-ethylpiperidine?
The canonical SMILES for 1-(3-chlorophenyl)-4-ethylpiperidine is CCC1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-ethylpiperidine?
The InChIKey is AZKNYNYVXZDYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-2-11-6-8-15(9-7-11)13-5-3-4-12(14)10-13/h3-5,10-11H,2,6-9H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-ethylpiperidine?
1-(3-chlorophenyl)-4-ethylpiperidine has a molecular weight of 223.75 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-ethylpiperidine is sourced from PubChem (CID 178142093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).