4-chloro-2-N-(1-ethylpiperidin-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine

C15H24ClN3 — CID 43741071

IUPAC4-chloro-2-N-(1-ethylpiperidin-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCCN1CCC(Nc2cc(Cl)ccc2N(C)C)CC1
InChIInChI=1S/C15H24ClN3/c1-4-19-9-7-13(8-10-19)17-14-11-12(16)5-6-15(14)18(2)3/h5-6,11,13,17H,4,7-10H2,1-3H3
InChIKeyPZIFQTRNTIYOJS-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.30
Rot. Bonds4

About 4-chloro-2-N-(1-ethylpiperidin-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine

4-chloro-2-N-(1-ethylpiperidin-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 43741071) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 4-chloro-2-N-(1-ethylpiperidin-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-(1-ethylpiperidin-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID43741071
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name4-chloro-2-N-(1-ethylpiperidin-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCCN1CCC(Nc2cc(Cl)ccc2N(C)C)CC1
InChIInChI=1S/C15H24ClN3/c1-4-19-9-7-13(8-10-19)17-14-11-12(16)5-6-15(14)18(2)3/h5-6,11,13,17H,4,7-10H2,1-3H3
InChIKeyPZIFQTRNTIYOJS-UHFFFAOYSA-N
XLogP3.30
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741067
4-chloro-2-[(1-ethylpiperidin-4-yl)amino]benzonitrile
CID 43681516
N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
CID 43716478
N-(2,5-dichlorophenyl)-1-propylazepan-4-amine
CID 65072419
1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine
CID 62816568
N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114861329
2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine
CID 105364252
N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114850104
N-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine
CID 154333311
N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine
CID 65072787
N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 107082125
5-chloro-2-[(1-propylpiperidin-4-yl)amino]benzonitrile
CID 62493841

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-(1-ethylpiperidin-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-(1-ethylpiperidin-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine (CID 43741071) is 4-chloro-2-N-(1-ethylpiperidin-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-(1-ethylpiperidin-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-(1-ethylpiperidin-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine is CCN1CCC(Nc2cc(Cl)ccc2N(C)C)CC1.
What is the InChIKey of 4-chloro-2-N-(1-ethylpiperidin-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is PZIFQTRNTIYOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-4-19-9-7-13(8-10-19)17-14-11-12(16)5-6-15(14)18(2)3/h5-6,11,13,17H,4,7-10H2,1-3H3.
What are the key properties of 4-chloro-2-N-(1-ethylpiperidin-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine?
4-chloro-2-N-(1-ethylpiperidin-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 281.83 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-(1-ethylpiperidin-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 43741071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).