1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine

C16H27N3 — CID 112678137

IUPAC1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1N1CCN(CC)C(C)C1
InChIInChI=1S/C16H27N3/c1-4-15(17)14-8-6-7-9-16(14)19-11-10-18(5-2)13(3)12-19/h6-9,13,15H,4-5,10-12,17H2,1-3H3
InChIKeyCDDICMZOYJROHX-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.63
Rot. Bonds4

About 1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine

1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine (PubChem CID 112678137) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine
PubChem CID112678137
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1N1CCN(CC)C(C)C1
InChIInChI=1S/C16H27N3/c1-4-15(17)14-8-6-7-9-16(14)19-11-10-18(5-2)13(3)12-19/h6-9,13,15H,4-5,10-12,17H2,1-3H3
InChIKeyCDDICMZOYJROHX-UHFFFAOYSA-N
XLogP2.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 113358830
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 103958918
1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677803
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677997
(1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 113358770
(1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 103959029
1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol
CID 112678103
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 115995211
2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103959095
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol
CID 63608891
2-(4-ethyl-3-methylpiperazin-1-yl)benzonitrile
CID 55215261

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine?
The IUPAC name of 1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine (CID 112678137) is 1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for 1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine is CCC(N)c1ccccc1N1CCN(CC)C(C)C1.
What is the InChIKey of 1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine?
The InChIKey is CDDICMZOYJROHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-15(17)14-8-6-7-9-16(14)19-11-10-18(5-2)13(3)12-19/h6-9,13,15H,4-5,10-12,17H2,1-3H3.
What are the key properties of 1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine?
1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 112678137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).