[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine

C19H25N3 — CID 71009970

IUPAC[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
SMILESCCc1ccc(N2CCN(c3ccc(CN)cc3)CC2)cc1
InChIInChI=1S/C19H25N3/c1-2-16-3-7-18(8-4-16)21-11-13-22(14-12-21)19-9-5-17(15-20)6-10-19/h3-10H,2,11-15,20H2,1H3
InChIKeyLKUIEJDAAYYEOP-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.03
Rot. Bonds4

About [4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine

[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine (PubChem CID 71009970) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is [4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
PubChem CID71009970
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
SMILESCCc1ccc(N2CCN(c3ccc(CN)cc3)CC2)cc1
InChIInChI=1S/C19H25N3/c1-2-16-3-7-18(8-4-16)21-11-13-22(14-12-21)19-9-5-17(15-20)6-10-19/h3-10H,2,11-15,20H2,1H3
InChIKeyLKUIEJDAAYYEOP-UHFFFAOYSA-N
XLogP3.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.03
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-ethylphenyl)piperazin-1-yl]propan-1-amine
CID 82017690
4-(4-ethylphenyl)morpholine
CID 20576442
butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
CID 143709843
4-[4-(aminomethyl)phenyl]piperazine-1-carbaldehyde
CID 83641590
ethane;1-(4-ethylphenyl)-4-propylpiperazine
CID 170586742
2-[1-(4-ethylphenyl)piperidin-4-yl]ethanamine
CID 82289871
4-ethyl-1-(4-ethylphenyl)piperidine
CID 70847074
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
[4-(4-propoxypiperidin-1-yl)phenyl]methanamine
CID 28803528
1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945
1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine
CID 59545760
[4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 166607182

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine?
The IUPAC name of [4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine (CID 71009970) is [4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine.
What is the SMILES notation for [4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine?
The canonical SMILES for [4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine is CCc1ccc(N2CCN(c3ccc(CN)cc3)CC2)cc1.
What is the InChIKey of [4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine?
The InChIKey is LKUIEJDAAYYEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-2-16-3-7-18(8-4-16)21-11-13-22(14-12-21)19-9-5-17(15-20)6-10-19/h3-10H,2,11-15,20H2,1H3.
What are the key properties of [4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine?
[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine has a molecular weight of 295.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine is sourced from PubChem (CID 71009970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).