2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine

C16H27N3O — CID 83979111

IUPAC2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
SMILESCCOc1ccccc1C(CN(C)C)N1CCNCC1
InChIInChI=1S/C16H27N3O/c1-4-20-16-8-6-5-7-14(16)15(13-18(2)3)19-11-9-17-10-12-19/h5-8,15,17H,4,9-13H2,1-3H3
InChIKeyJOABMQPLDLKJNZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.59
Rot. Bonds6

About 2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine

2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine (PubChem CID 83979111) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
PubChem CID83979111
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
SMILESCCOc1ccccc1C(CN(C)C)N1CCNCC1
InChIInChI=1S/C16H27N3O/c1-4-20-16-8-6-5-7-14(16)15(13-18(2)3)19-11-9-17-10-12-19/h5-8,15,17H,4,9-13H2,1-3H3
InChIKeyJOABMQPLDLKJNZ-UHFFFAOYSA-N
XLogP1.59
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(2-ethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171288177
1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine
CID 171310795
1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171169097
1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine
CID 171275572
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548
1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine
CID 171288181
1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine
CID 3742579
1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171286917
1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171295565
1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182348
1-[(2-ethoxyphenyl)-(2-methylphenyl)methyl]-1,4-diazepane
CID 3742611
(3R)-3-(2-ethoxyphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189996

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine?
The IUPAC name of 2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine (CID 83979111) is 2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine.
What is the SMILES notation for 2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine?
The canonical SMILES for 2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine is CCOc1ccccc1C(CN(C)C)N1CCNCC1.
What is the InChIKey of 2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine?
The InChIKey is JOABMQPLDLKJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-20-16-8-6-5-7-14(16)15(13-18(2)3)19-11-9-17-10-12-19/h5-8,15,17H,4,9-13H2,1-3H3.
What are the key properties of 2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine?
2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine has a molecular weight of 277.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine is sourced from PubChem (CID 83979111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).