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

C16H26ClN3 — CID 83977802

IUPAC2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine
SMILESCCN(CC)CC(c1cccc(Cl)c1)N1CCNCC1
InChIInChI=1S/C16H26ClN3/c1-3-19(4-2)13-16(20-10-8-18-9-11-20)14-6-5-7-15(17)12-14/h5-7,12,16,18H,3-4,8-11,13H2,1-2H3
InChIKeyJBMYCQZWYIMRIE-UHFFFAOYSA-N
MW295.86 g/mol
LogP2.63
Rot. Bonds6

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

2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine (PubChem CID 83977802) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine
PubChem CID83977802
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine
SMILESCCN(CC)CC(c1cccc(Cl)c1)N1CCNCC1
InChIInChI=1S/C16H26ClN3/c1-3-19(4-2)13-16(20-10-8-18-9-11-20)14-6-5-7-15(17)12-14/h5-7,12,16,18H,3-4,8-11,13H2,1-2H3
InChIKeyJBMYCQZWYIMRIE-UHFFFAOYSA-N
XLogP2.63
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 58786565
2-chloro-4-[2-(diethylamino)-1-piperazin-1-ylethyl]phenol
CID 83979656
1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
CID 171308680
1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171286241
(3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189010
N,N-diethyl-2-piperazin-1-yl-2-pyridin-4-ylethanamine
CID 83980045
1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
CID 129365376
N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 83979379
1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171286243
1-[1-(3-chlorophenyl)ethyl]-1,4-diazepane
CID 5105220
1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
CID 5238145
2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978693

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine (CID 83977802) is 2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine is CCN(CC)CC(c1cccc(Cl)c1)N1CCNCC1.
What is the InChIKey of 2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine?
The InChIKey is JBMYCQZWYIMRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-3-19(4-2)13-16(20-10-8-18-9-11-20)14-6-5-7-15(17)12-14/h5-7,12,16,18H,3-4,8-11,13H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine?
2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine has a molecular weight of 295.86 g/mol, XLogP of 2.63, 6 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-diethyl-2-piperazin-1-ylethanamine is sourced from PubChem (CID 83977802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).