3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperidin-1-ylpropan-1-amine

C16H24Cl2N2 — CID 54767242

IUPAC3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperidin-1-ylpropan-1-amine
SMILESCN(C)CCC(c1ccc(Cl)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C16H24Cl2N2/c1-19(2)11-8-16(20-9-4-3-5-10-20)13-6-7-14(17)15(18)12-13/h6-7,12,16H,3-5,8-11H2,1-2H3
InChIKeyJDOZNEHOYKLUQH-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.47
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperidin-1-ylpropan-1-amine

3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperidin-1-ylpropan-1-amine (PubChem CID 54767242) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperidin-1-ylpropan-1-amine
PubChem CID54767242
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperidin-1-ylpropan-1-amine
SMILESCN(C)CCC(c1ccc(Cl)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C16H24Cl2N2/c1-19(2)11-8-16(20-9-4-3-5-10-20)13-6-7-14(17)15(18)12-13/h6-7,12,16H,3-5,8-11H2,1-2H3
InChIKeyJDOZNEHOYKLUQH-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperidin-1-ylpropan-1-amine (CID 54767242) is 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperidin-1-ylpropan-1-amine is CN(C)CCC(c1ccc(Cl)c(Cl)c1)N1CCCCC1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperidin-1-ylpropan-1-amine?
The InChIKey is JDOZNEHOYKLUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-19(2)11-8-16(20-9-4-3-5-10-20)13-6-7-14(17)15(18)12-13/h6-7,12,16H,3-5,8-11H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperidin-1-ylpropan-1-amine?
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperidin-1-ylpropan-1-amine has a molecular weight of 315.29 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 54767242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).