4-(4,5-dichloro-2-methylphenyl)piperidine

C12H15Cl2N — CID 84802563

IUPAC4-(4,5-dichloro-2-methylphenyl)piperidine
SMILESCc1cc(Cl)c(Cl)cc1C1CCNCC1
InChIInChI=1S/C12H15Cl2N/c1-8-6-11(13)12(14)7-10(8)9-2-4-15-5-3-9/h6-7,9,15H,2-5H2,1H3
InChIKeyDXVIMOPCDNPFIS-UHFFFAOYSA-N
MW244.16 g/mol
LogP3.77
Rot. Bonds1

About 4-(4,5-dichloro-2-methylphenyl)piperidine

4-(4,5-dichloro-2-methylphenyl)piperidine (PubChem CID 84802563) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 4-(4,5-dichloro-2-methylphenyl)piperidine.

Molecular Properties

Compound Name4-(4,5-dichloro-2-methylphenyl)piperidine
PubChem CID84802563
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name4-(4,5-dichloro-2-methylphenyl)piperidine
SMILESCc1cc(Cl)c(Cl)cc1C1CCNCC1
InChIInChI=1S/C12H15Cl2N/c1-8-6-11(13)12(14)7-10(8)9-2-4-15-5-3-9/h6-7,9,15H,2-5H2,1H3
InChIKeyDXVIMOPCDNPFIS-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dichloro-2-methylphenyl)piperidine?
The IUPAC name of 4-(4,5-dichloro-2-methylphenyl)piperidine (CID 84802563) is 4-(4,5-dichloro-2-methylphenyl)piperidine.
What is the SMILES notation for 4-(4,5-dichloro-2-methylphenyl)piperidine?
The canonical SMILES for 4-(4,5-dichloro-2-methylphenyl)piperidine is Cc1cc(Cl)c(Cl)cc1C1CCNCC1.
What is the InChIKey of 4-(4,5-dichloro-2-methylphenyl)piperidine?
The InChIKey is DXVIMOPCDNPFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-8-6-11(13)12(14)7-10(8)9-2-4-15-5-3-9/h6-7,9,15H,2-5H2,1H3.
What are the key properties of 4-(4,5-dichloro-2-methylphenyl)piperidine?
4-(4,5-dichloro-2-methylphenyl)piperidine has a molecular weight of 244.16 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dichloro-2-methylphenyl)piperidine is sourced from PubChem (CID 84802563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).