1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine

C19H25N3 — CID 120755914

IUPAC1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine
SMILESCCc1ccc(CCN2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C19H25N3/c1-2-16-5-7-17(8-6-16)9-12-22-13-11-21-15-19(22)18-4-3-10-20-14-18/h3-8,10,14,19,21H,2,9,11-13,15H2,1H3
InChIKeyXDKJDJSSSVMRIH-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.83
Rot. Bonds5

About 1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine

1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine (PubChem CID 120755914) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine
PubChem CID120755914
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine
SMILESCCc1ccc(CCN2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C19H25N3/c1-2-16-5-7-17(8-6-16)9-12-22-13-11-21-15-19(22)18-4-3-10-20-14-18/h3-8,10,14,19,21H,2,9,11-13,15H2,1H3
InChIKeyXDKJDJSSSVMRIH-UHFFFAOYSA-N
XLogP2.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride
CID 120755310
2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253
N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755259
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
N-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120756007
N-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline
CID 120756006
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
3-[2-(4-ethylphenyl)piperazin-1-yl]-N-pyridin-3-ylpropanamide;hydrochloride
CID 120758052
methyl 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzoate;hydrochloride
CID 120767725

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine (CID 120755914) is 1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine is CCc1ccc(CCN2CCNCC2c2cccnc2)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine?
The InChIKey is XDKJDJSSSVMRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-2-16-5-7-17(8-6-16)9-12-22-13-11-21-15-19(22)18-4-3-10-20-14-18/h3-8,10,14,19,21H,2,9,11-13,15H2,1H3.
What are the key properties of 1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine?
1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine has a molecular weight of 295.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120755914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).