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

C12H16ClN — CID 83392215

IUPAC2-(3-chloro-2-methylphenyl)piperidine
SMILESCc1c(Cl)cccc1C1CCCCN1
InChIInChI=1S/C12H16ClN/c1-9-10(5-4-6-11(9)13)12-7-2-3-8-14-12/h4-6,12,14H,2-3,7-8H2,1H3
InChIKeyDNFRQESSEWKLTB-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.46
Rot. Bonds1

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

2-(3-chloro-2-methylphenyl)piperidine (PubChem CID 83392215) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 2-(3-chloro-2-methylphenyl)piperidine.

Molecular Properties

Compound Name2-(3-chloro-2-methylphenyl)piperidine
PubChem CID83392215
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name2-(3-chloro-2-methylphenyl)piperidine
SMILESCc1c(Cl)cccc1C1CCCCN1
InChIInChI=1S/C12H16ClN/c1-9-10(5-4-6-11(9)13)12-7-2-3-8-14-12/h4-6,12,14H,2-3,7-8H2,1H3
InChIKeyDNFRQESSEWKLTB-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

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CID 55274966
(2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine
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2-chloro-3-piperidin-2-ylphenol
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2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
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2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine
CID 117418878
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
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(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195572
1-chloro-3-cyclohexyl-2-methylbenzene;4-(3-chloro-2-methylphenyl)piperidine;hydrochloride
CID 163597059
(2S)-2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 130973106
2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 83703297
2-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine
CID 84695145
2-(3-bromo-4-fluoro-2-methylphenyl)piperidine
CID 84809680

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylphenyl)piperidine?
The IUPAC name of 2-(3-chloro-2-methylphenyl)piperidine (CID 83392215) is 2-(3-chloro-2-methylphenyl)piperidine.
What is the SMILES notation for 2-(3-chloro-2-methylphenyl)piperidine?
The canonical SMILES for 2-(3-chloro-2-methylphenyl)piperidine is Cc1c(Cl)cccc1C1CCCCN1.
What is the InChIKey of 2-(3-chloro-2-methylphenyl)piperidine?
The InChIKey is DNFRQESSEWKLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9-10(5-4-6-11(9)13)12-7-2-3-8-14-12/h4-6,12,14H,2-3,7-8H2,1H3.
What are the key properties of 2-(3-chloro-2-methylphenyl)piperidine?
2-(3-chloro-2-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-2-methylphenyl)piperidine is sourced from PubChem (CID 83392215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).