4-(3,4-dichlorophenyl)-3-methylpiperidine

C12H15Cl2N — CID 79320698

IUPAC4-(3,4-dichlorophenyl)-3-methylpiperidine
SMILESCC1CNCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N/c1-8-7-15-5-4-10(8)9-2-3-11(13)12(14)6-9/h2-3,6,8,10,15H,4-5,7H2,1H3
InChIKeyXYBUHZMCEVXRKD-UHFFFAOYSA-N
MW244.16 g/mol
LogP3.71
Rot. Bonds1

About 4-(3,4-dichlorophenyl)-3-methylpiperidine

4-(3,4-dichlorophenyl)-3-methylpiperidine (PubChem CID 79320698) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-3-methylpiperidine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-3-methylpiperidine
PubChem CID79320698
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name4-(3,4-dichlorophenyl)-3-methylpiperidine
SMILESCC1CNCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N/c1-8-7-15-5-4-10(8)9-2-3-11(13)12(14)6-9/h2-3,6,8,10,15H,4-5,7H2,1H3
InChIKeyXYBUHZMCEVXRKD-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-3-methylpiperidine?
The IUPAC name of 4-(3,4-dichlorophenyl)-3-methylpiperidine (CID 79320698) is 4-(3,4-dichlorophenyl)-3-methylpiperidine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-3-methylpiperidine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-3-methylpiperidine is CC1CNCCC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-3-methylpiperidine?
The InChIKey is XYBUHZMCEVXRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-8-7-15-5-4-10(8)9-2-3-11(13)12(14)6-9/h2-3,6,8,10,15H,4-5,7H2,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)-3-methylpiperidine?
4-(3,4-dichlorophenyl)-3-methylpiperidine has a molecular weight of 244.16 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-3-methylpiperidine is sourced from PubChem (CID 79320698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).