N-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine

C16H24Cl2N2 — CID 83006822

IUPACN-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine
SMILESCCC(NN1C(C)CCCC1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H24Cl2N2/c1-4-16(14-9-8-13(17)10-15(14)18)19-20-11(2)6-5-7-12(20)3/h8-12,16,19H,4-7H2,1-3H3
InChIKeyYXSPJGCKZMZMNZ-UHFFFAOYSA-N
MW315.29 g/mol
LogP5.21
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine

N-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine (PubChem CID 83006822) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine
PubChem CID83006822
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC NameN-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine
SMILESCCC(NN1C(C)CCCC1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H24Cl2N2/c1-4-16(14-9-8-13(17)10-15(14)18)19-20-11(2)6-5-7-12(20)3/h8-12,16,19H,4-7H2,1-3H3
InChIKeyYXSPJGCKZMZMNZ-UHFFFAOYSA-N
XLogP5.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.29
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine
CID 63463585
N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine
CID 43503316
N-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine
CID 81342935
1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
CID 83011963
N-[1-(3-fluorophenyl)propyl]-2,6-dimethylpiperidin-1-amine
CID 114871776
[2-cyclobutyl-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105309988
N-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine
CID 103907260
1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515230
N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
CID 63454562
1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 63454306
3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one
CID 62093760
3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629197

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine (CID 83006822) is N-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine is CCC(NN1C(C)CCCC1C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine?
The InChIKey is YXSPJGCKZMZMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-4-16(14-9-8-13(17)10-15(14)18)19-20-11(2)6-5-7-12(20)3/h8-12,16,19H,4-7H2,1-3H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine?
N-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine has a molecular weight of 315.29 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine is sourced from PubChem (CID 83006822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).