N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine

C15H25N3O — CID 83009089

IUPACN-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine
SMILESCCOc1ccc(C(C)NN2CCN(C)CC2)cc1
InChIInChI=1S/C15H25N3O/c1-4-19-15-7-5-14(6-8-15)13(2)16-18-11-9-17(3)10-12-18/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyQRSVKFTTWUAXPN-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.90
Rot. Bonds5

About N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine

N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine (PubChem CID 83009089) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine
PubChem CID83009089
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine
SMILESCCOc1ccc(C(C)NN2CCN(C)CC2)cc1
InChIInChI=1S/C15H25N3O/c1-4-19-15-7-5-14(6-8-15)13(2)16-18-11-9-17(3)10-12-18/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyQRSVKFTTWUAXPN-UHFFFAOYSA-N
XLogP1.90
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid
CID 82344814
4-[1-[(4-methylpiperazin-1-yl)amino]ethyl]benzonitrile
CID 83009779
N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine
CID 65070030
(1R,2S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
CID 125480881
N-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine
CID 79101416
N-[1-(4-ethoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83007714
3-(4-ethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanoic acid
CID 65419472
N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43734733
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine
CID 83010256
N-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 83010902
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719782

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine (CID 83009089) is N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine is CCOc1ccc(C(C)NN2CCN(C)CC2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine?
The InChIKey is QRSVKFTTWUAXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-19-15-7-5-14(6-8-15)13(2)16-18-11-9-17(3)10-12-18/h5-8,13,16H,4,9-12H2,1-3H3.
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine?
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine has a molecular weight of 263.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 83009089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).