2-(3-chloro-5-methylphenyl)piperidine

C12H16ClN — CID 84781097

IUPAC2-(3-chloro-5-methylphenyl)piperidine
SMILESCc1cc(Cl)cc(C2CCCCN2)c1
InChIInChI=1S/C12H16ClN/c1-9-6-10(8-11(13)7-9)12-4-2-3-5-14-12/h6-8,12,14H,2-5H2,1H3
InChIKeyZYQXDJMWDXICIG-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.46
Rot. Bonds1

About 2-(3-chloro-5-methylphenyl)piperidine

2-(3-chloro-5-methylphenyl)piperidine (PubChem CID 84781097) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 2-(3-chloro-5-methylphenyl)piperidine.

Molecular Properties

Compound Name2-(3-chloro-5-methylphenyl)piperidine
PubChem CID84781097
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name2-(3-chloro-5-methylphenyl)piperidine
SMILESCc1cc(Cl)cc(C2CCCCN2)c1
InChIInChI=1S/C12H16ClN/c1-9-6-10(8-11(13)7-9)12-4-2-3-5-14-12/h6-8,12,14H,2-5H2,1H3
InChIKeyZYQXDJMWDXICIG-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluoro-5-methylphenyl)piperidine
CID 55297533
(2S)-2-(3-chloro-5-methoxyphenyl)piperidine
CID 131500091
3-chloro-2-methyl-5-piperidin-2-ylphenol
CID 84790686
(2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine
CID 66518568
3-methyl-5-[(2R)-piperidin-2-yl]pyridine
CID 96741558
(2R)-2-(3-chlorophenyl)piperidine;hydrochloride
CID 154574647
(2R)-2-(3-methylphenyl)azepane
CID 7048257
2-chloro-6-methyl-4-piperidin-2-ylphenol
CID 84690212
2-(3-chlorophenyl)azepane;hydrochloride
CID 46835309
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
(2R)-2-[4-(4-methylphenyl)phenyl]piperidine
CID 165347942
(2R)-2-(5-methyl-1H-pyrrol-3-yl)piperidine
CID 92860318

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-methylphenyl)piperidine?
The IUPAC name of 2-(3-chloro-5-methylphenyl)piperidine (CID 84781097) is 2-(3-chloro-5-methylphenyl)piperidine.
What is the SMILES notation for 2-(3-chloro-5-methylphenyl)piperidine?
The canonical SMILES for 2-(3-chloro-5-methylphenyl)piperidine is Cc1cc(Cl)cc(C2CCCCN2)c1.
What is the InChIKey of 2-(3-chloro-5-methylphenyl)piperidine?
The InChIKey is ZYQXDJMWDXICIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9-6-10(8-11(13)7-9)12-4-2-3-5-14-12/h6-8,12,14H,2-5H2,1H3.
What are the key properties of 2-(3-chloro-5-methylphenyl)piperidine?
2-(3-chloro-5-methylphenyl)piperidine has a molecular weight of 209.72 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-methylphenyl)piperidine is sourced from PubChem (CID 84781097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).