2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine

C20H27N3 — CID 16642722

IUPAC2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
SMILESCCc1ccc(C(CN)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H27N3/c1-2-17-8-10-18(11-9-17)20(16-21)23-14-12-22(13-15-23)19-6-4-3-5-7-19/h3-11,20H,2,12-16,21H2,1H3
InChIKeyVPGFAWYJOFTOCT-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.07
Rot. Bonds5

About 2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine

2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine (PubChem CID 16642722) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
PubChem CID16642722
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
SMILESCCc1ccc(C(CN)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H27N3/c1-2-17-8-10-18(11-9-17)20(16-21)23-14-12-22(13-15-23)19-6-4-3-5-7-19/h3-11,20H,2,12-16,21H2,1H3
InChIKeyVPGFAWYJOFTOCT-UHFFFAOYSA-N
XLogP3.07
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 9161175
(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 97182150
(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 97182151
2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 16642461
(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine
CID 9161222
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine
CID 16642714
2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 58228272
2-(4-tert-butylpiperidin-1-yl)-2-(4-ethylphenyl)ethanamine
CID 63465065
[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
CID 71009970
1-phenyl-4-[4-[1-[4-[2-[4-(4-phenylpiperazin-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]piperazine
CID 70673095
2-(4-benzylpiperazin-1-yl)-2-phenylethanamine
CID 18071222
(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 722988

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine (CID 16642722) is 2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine is CCc1ccc(C(CN)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine?
The InChIKey is VPGFAWYJOFTOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-2-17-8-10-18(11-9-17)20(16-21)23-14-12-22(13-15-23)19-6-4-3-5-7-19/h3-11,20H,2,12-16,21H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine?
2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine has a molecular weight of 309.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 16642722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).