3-[(3,4-dichlorophenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one

C16H22Cl2N2O — CID 78860526

IUPAC3-[(3,4-dichlorophenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCN(CCC(=O)N1CCCCC1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-19(12-13-5-6-14(17)15(18)11-13)10-7-16(21)20-8-3-2-4-9-20/h5-6,11H,2-4,7-10,12H2,1H3
InChIKeyOTLRXUVCRWVVQO-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.83
Rot. Bonds5

About 3-[(3,4-dichlorophenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one

3-[(3,4-dichlorophenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 78860526) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID78860526
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name3-[(3,4-dichlorophenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCN(CCC(=O)N1CCCCC1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-19(12-13-5-6-14(17)15(18)11-13)10-7-16(21)20-8-3-2-4-9-20/h5-6,11H,2-4,7-10,12H2,1H3
InChIKeyOTLRXUVCRWVVQO-UHFFFAOYSA-N
XLogP3.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
CID 145472486
3-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 47027251
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303
3-[(3,4-dichlorophenyl)methyl-ethylamino]-1-piperazin-1-ylpropan-1-one
CID 120981153
2-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylethanone
CID 10422618
2-[(3,4-dichlorophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone
CID 17309826
1-butanoyl-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 55990169
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 25163379
3-[(3,4-dichlorophenyl)methyl-methylamino]propanethioamide
CID 29009744
3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 145472611
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 134061564
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[(3,4-dichlorophenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one (CID 78860526) is 3-[(3,4-dichlorophenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one is CN(CCC(=O)N1CCCCC1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is OTLRXUVCRWVVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-19(12-13-5-6-14(17)15(18)11-13)10-7-16(21)20-8-3-2-4-9-20/h5-6,11H,2-4,7-10,12H2,1H3.
What are the key properties of 3-[(3,4-dichlorophenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one?
3-[(3,4-dichlorophenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 329.27 g/mol, XLogP of 3.83, 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)methyl-methylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 78860526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).