2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine

C14H22ClN3 — CID 58786565

IUPAC2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
SMILESCN(C)CC(c1cccc(Cl)c1)N1CCNCC1
InChIInChI=1S/C14H22ClN3/c1-17(2)11-14(18-8-6-16-7-9-18)12-4-3-5-13(15)10-12/h3-5,10,14,16H,6-9,11H2,1-2H3
InChIKeyIXRFFWKMSDQACX-UHFFFAOYSA-N
MW267.80 g/mol
LogP1.85
Rot. Bonds4

About 2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine

2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine (PubChem CID 58786565) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
PubChem CID58786565
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
SMILESCN(C)CC(c1cccc(Cl)c1)N1CCNCC1
InChIInChI=1S/C14H22ClN3/c1-17(2)11-14(18-8-6-16-7-9-18)12-4-3-5-13(15)10-12/h3-5,10,14,16H,6-9,11H2,1-2H3
InChIKeyIXRFFWKMSDQACX-UHFFFAOYSA-N
XLogP1.85
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine
CID 83977802
1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171286241
(3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189010
1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
CID 171308680
2-(4-fluoro-3-methylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82304187
1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
CID 129365376
1-[1-(3-chlorophenyl)ethyl]-1,4-diazepane
CID 5105220
1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171286243
1-[(1R)-1-(3-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171286216
2-(3,4-dichlorophenyl)-N,N-dimethyl-2-pyrrolidin-1-ylethanamine
CID 54766010
1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine
CID 171182716
1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine
CID 4601927

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine (CID 58786565) is 2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine is CN(C)CC(c1cccc(Cl)c1)N1CCNCC1.
What is the InChIKey of 2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine?
The InChIKey is IXRFFWKMSDQACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-17(2)11-14(18-8-6-16-7-9-18)12-4-3-5-13(15)10-12/h3-5,10,14,16H,6-9,11H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine?
2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine has a molecular weight of 267.80 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine is sourced from PubChem (CID 58786565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).