2-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N,N-dimethylethanamine

C16H24Cl2N2 — CID 60543116

IUPAC2-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H24Cl2N2/c1-19(2)9-6-13-7-10-20(11-8-13)12-14-15(17)4-3-5-16(14)18/h3-5,13H,6-12H2,1-2H3
InChIKeyPXUOIBQGJVPJHR-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.16
Rot. Bonds5

About 2-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N,N-dimethylethanamine

2-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N,N-dimethylethanamine (PubChem CID 60543116) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N,N-dimethylethanamine
PubChem CID60543116
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name2-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H24Cl2N2/c1-19(2)9-6-13-7-10-20(11-8-13)12-14-15(17)4-3-5-16(14)18/h3-5,13H,6-12H2,1-2H3
InChIKeyPXUOIBQGJVPJHR-UHFFFAOYSA-N
XLogP4.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N,N-dimethylethanamine (CID 60543116) is 2-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N,N-dimethylethanamine is CN(C)CCC1CCN(Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 2-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N,N-dimethylethanamine?
The InChIKey is PXUOIBQGJVPJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-19(2)9-6-13-7-10-20(11-8-13)12-14-15(17)4-3-5-16(14)18/h3-5,13H,6-12H2,1-2H3.
What are the key properties of 2-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N,N-dimethylethanamine?
2-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N,N-dimethylethanamine has a molecular weight of 315.29 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 60543116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).