3-[1-(3-chlorophenyl)ethyl]piperidine

C13H18ClN — CID 83910984

IUPAC3-[1-(3-chlorophenyl)ethyl]piperidine
SMILESCC(c1cccc(Cl)c1)C1CCCNC1
InChIInChI=1S/C13H18ClN/c1-10(12-5-3-7-15-9-12)11-4-2-6-13(14)8-11/h2,4,6,8,10,12,15H,3,5,7,9H2,1H3
InChIKeyRSYCXFMBYIHXPJ-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.44
Rot. Bonds2

About 3-[1-(3-chlorophenyl)ethyl]piperidine

3-[1-(3-chlorophenyl)ethyl]piperidine (PubChem CID 83910984) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)ethyl]piperidine.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)ethyl]piperidine
PubChem CID83910984
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name3-[1-(3-chlorophenyl)ethyl]piperidine
SMILESCC(c1cccc(Cl)c1)C1CCCNC1
InChIInChI=1S/C13H18ClN/c1-10(12-5-3-7-15-9-12)11-4-2-6-13(14)8-11/h2,4,6,8,10,12,15H,3,5,7,9H2,1H3
InChIKeyRSYCXFMBYIHXPJ-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chlorophenyl)-[(3R)-piperidin-3-yl]methanol
CID 67190676
3-(1-piperidin-3-ylethyl)benzaldehyde
CID 115030279
4-(1-piperidin-3-ylethyl)benzene-1,2-diol
CID 83910552
3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine
CID 83912228
4-(1-piperidin-3-ylethyl)phenol
CID 83908771
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857
1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119930141
2-[(3-chlorophenyl)-piperidin-3-ylmethoxy]butanamide
CID 91159436
(3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine
CID 95366455
N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline
CID 83911736
3-(1-pyrrolidin-3-ylethyl)benzaldehyde
CID 115023129

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)ethyl]piperidine?
The IUPAC name of 3-[1-(3-chlorophenyl)ethyl]piperidine (CID 83910984) is 3-[1-(3-chlorophenyl)ethyl]piperidine.
What is the SMILES notation for 3-[1-(3-chlorophenyl)ethyl]piperidine?
The canonical SMILES for 3-[1-(3-chlorophenyl)ethyl]piperidine is CC(c1cccc(Cl)c1)C1CCCNC1.
What is the InChIKey of 3-[1-(3-chlorophenyl)ethyl]piperidine?
The InChIKey is RSYCXFMBYIHXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-10(12-5-3-7-15-9-12)11-4-2-6-13(14)8-11/h2,4,6,8,10,12,15H,3,5,7,9H2,1H3.
What are the key properties of 3-[1-(3-chlorophenyl)ethyl]piperidine?
3-[1-(3-chlorophenyl)ethyl]piperidine has a molecular weight of 223.75 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorophenyl)ethyl]piperidine is sourced from PubChem (CID 83910984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).