1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine

C16H27N3 — CID 116954950

IUPAC1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
SMILESCCc1ccc(C(CCN2CCNCC2)NC)cc1
InChIInChI=1S/C16H27N3/c1-3-14-4-6-15(7-5-14)16(17-2)8-11-19-12-9-18-10-13-19/h4-7,16-18H,3,8-13H2,1-2H3
InChIKeyOZDISSZFGMWVQY-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.80
Rot. Bonds6

About 1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine

1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine (PubChem CID 116954950) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
PubChem CID116954950
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
SMILESCCc1ccc(C(CCN2CCNCC2)NC)cc1
InChIInChI=1S/C16H27N3/c1-3-14-4-6-15(7-5-14)16(17-2)8-11-19-12-9-18-10-13-19/h4-7,16-18H,3,8-13H2,1-2H3
InChIKeyOZDISSZFGMWVQY-UHFFFAOYSA-N
XLogP1.80
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62645471
1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine
CID 116956943
1-(3-methoxyphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954977
N-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine
CID 116954947
1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954962
N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62617685
1-[2-(4-ethylphenyl)propyl]piperazine
CID 82289918
N-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine
CID 116957135
N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 116954879
1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 2757853
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62643870
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine (CID 116954950) is 1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine is CCc1ccc(C(CCN2CCNCC2)NC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine?
The InChIKey is OZDISSZFGMWVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-14-4-6-15(7-5-14)16(17-2)8-11-19-12-9-18-10-13-19/h4-7,16-18H,3,8-13H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine?
1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116954950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).