1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine

C15H25N3 — CID 112677803

IUPAC1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1N1CCN(CC)CC1
InChIInChI=1S/C15H25N3/c1-3-14(16)13-7-5-6-8-15(13)18-11-9-17(4-2)10-12-18/h5-8,14H,3-4,9-12,16H2,1-2H3
InChIKeyJCBUEQKUHXLCJV-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.24
Rot. Bonds4

About 1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine

1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine (PubChem CID 112677803) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine
PubChem CID112677803
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1N1CCN(CC)CC1
InChIInChI=1S/C15H25N3/c1-3-14(16)13-7-5-6-8-15(13)18-11-9-17(4-2)10-12-18/h5-8,14H,3-4,9-12,16H2,1-2H3
InChIKeyJCBUEQKUHXLCJV-UHFFFAOYSA-N
XLogP2.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677997
1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol
CID 103959062
(1R)-1-[2-(8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-amine
CID 103958889
1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 112678137
(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
(1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 103959036
1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine
CID 112678164
(1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 113358770
1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol
CID 112678103
(1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine
CID 104921336

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine (CID 112677803) is 1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine is CCC(N)c1ccccc1N1CCN(CC)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine?
The InChIKey is JCBUEQKUHXLCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-14(16)13-7-5-6-8-15(13)18-11-9-17(4-2)10-12-18/h5-8,14H,3-4,9-12,16H2,1-2H3.
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine?
1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 112677803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).