3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine

C15H25N3 — CID 82017690

IUPAC3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine
SMILESCCc1ccc(N2CCN(CCCN)CC2)cc1
InChIInChI=1S/C15H25N3/c1-2-14-4-6-15(7-5-14)18-12-10-17(11-13-18)9-3-8-16/h4-7H,2-3,8-13,16H2,1H3
InChIKeyMAHFETUXCCFBOB-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.72
Rot. Bonds5

About 3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine

3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine (PubChem CID 82017690) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine
PubChem CID82017690
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine
SMILESCCc1ccc(N2CCN(CCCN)CC2)cc1
InChIInChI=1S/C15H25N3/c1-2-14-4-6-15(7-5-14)18-12-10-17(11-13-18)9-3-8-16/h4-7H,2-3,8-13,16H2,1H3
InChIKeyMAHFETUXCCFBOB-UHFFFAOYSA-N
XLogP1.72
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine
CID 82346723
ethane;1-(4-ethylphenyl)-4-propylpiperazine
CID 170586742
[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
CID 71009970
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-ethylbenzenesulfonamide
CID 42388771
butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
CID 143709843
2-[1-(4-ethylphenyl)piperidin-4-yl]ethanamine
CID 82289871
4-(4-ethylphenyl)morpholine
CID 20576442
4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224820
3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218
4-(4-pentyl-1,4-diazepan-1-yl)aniline
CID 28809134
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine (CID 82017690) is 3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine is CCc1ccc(N2CCN(CCCN)CC2)cc1.
What is the InChIKey of 3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine?
The InChIKey is MAHFETUXCCFBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-14-4-6-15(7-5-14)18-12-10-17(11-13-18)9-3-8-16/h4-7H,2-3,8-13,16H2,1H3.
What are the key properties of 3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine?
3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 82017690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).