1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine

C15H23Cl2N3 — CID 43585830

IUPAC1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C(CN)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H23Cl2N3/c1-19(2)12-5-7-20(8-6-12)15(10-18)13-4-3-11(16)9-14(13)17/h3-4,9,12,15H,5-8,10,18H2,1-2H3
InChIKeyGRWFYMHBGVOTSV-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.02
Rot. Bonds4

About 1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine

1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 43585830) has the molecular formula C15H23Cl2N3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
PubChem CID43585830
Molecular FormulaC15H23Cl2N3
Molecular Weight316.28 g/mol
Exact Mass315.13
IUPAC Name1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C(CN)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H23Cl2N3/c1-19(2)12-5-7-20(8-6-12)15(10-18)13-4-3-11(16)9-14(13)17/h3-4,9,12,15H,5-8,10,18H2,1-2H3
InChIKeyGRWFYMHBGVOTSV-UHFFFAOYSA-N
XLogP3.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166284
2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964850
2-(2,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine
CID 62332287
2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494603
2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 114076201
2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 114843208
2-(5-chloro-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 114843187
2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine
CID 114843422
2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 114842786
2-(2,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391282
1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 43585829
2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114842840

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine (CID 43585830) is 1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(C(CN)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is GRWFYMHBGVOTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3/c1-19(2)12-5-7-20(8-6-12)15(10-18)13-4-3-11(16)9-14(13)17/h3-4,9,12,15H,5-8,10,18H2,1-2H3.
What are the key properties of 1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine?
1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 316.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 43585830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).