2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine

C17H27Cl2N3 — CID 83978693

IUPAC2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
SMILESCCN(CC)CC(c1ccc(Cl)c(Cl)c1)N1CCNC(C)C1
InChIInChI=1S/C17H27Cl2N3/c1-4-21(5-2)12-17(22-9-8-20-13(3)11-22)14-6-7-15(18)16(19)10-14/h6-7,10,13,17,20H,4-5,8-9,11-12H2,1-3H3
InChIKeyRSZSBPXJARJNCA-UHFFFAOYSA-N
MW344.33 g/mol
LogP3.67
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine

2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine (PubChem CID 83978693) has the molecular formula C17H27Cl2N3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
PubChem CID83978693
Molecular FormulaC17H27Cl2N3
Molecular Weight344.33 g/mol
Exact Mass343.16
IUPAC Name2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
SMILESCCN(CC)CC(c1ccc(Cl)c(Cl)c1)N1CCNC(C)C1
InChIInChI=1S/C17H27Cl2N3/c1-4-21(5-2)12-17(22-9-8-20-13(3)11-22)14-6-7-15(18)16(19)10-14/h6-7,10,13,17,20H,4-5,8-9,11-12H2,1-3H3
InChIKeyRSZSBPXJARJNCA-UHFFFAOYSA-N
XLogP3.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978280
2-chloro-4-[2-(diethylamino)-1-piperazin-1-ylethyl]phenol
CID 83979656
1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
CID 65418511
2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol
CID 83979668
4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline
CID 83977901
1-[1-(4-chlorophenyl)-3-methylbutyl]-3-methylpiperazine;ethane
CID 176717104
N,N-dimethyl-2-(3-methylpiperazin-1-yl)-2-pyridin-4-ylethanamine
CID 83980043
2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine
CID 83977802
2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978630
2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83979287
2-(3,4-dichlorophenyl)-N,N-dimethyl-2-pyrrolidin-1-ylethanamine
CID 54766010
1-[1-(3,4-dichlorophenyl)propyl]-1,4-diazepane
CID 3802587

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine (CID 83978693) is 2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine is CCN(CC)CC(c1ccc(Cl)c(Cl)c1)N1CCNC(C)C1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine?
The InChIKey is RSZSBPXJARJNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27Cl2N3/c1-4-21(5-2)12-17(22-9-8-20-13(3)11-22)14-6-7-15(18)16(19)10-14/h6-7,10,13,17,20H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine?
2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine has a molecular weight of 344.33 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 83978693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).