2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine

C17H26N2O — CID 120757831

IUPAC2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine
SMILESCCc1ccc(C2CNCCN2CC2CCOC2)cc1
InChIInChI=1S/C17H26N2O/c1-2-14-3-5-16(6-4-14)17-11-18-8-9-19(17)12-15-7-10-20-13-15/h3-6,15,17-18H,2,7-13H2,1H3
InChIKeyAKNGPZYWRVCPSA-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.23
Rot. Bonds4

About 2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine

2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine (PubChem CID 120757831) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine
PubChem CID120757831
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine
SMILESCCc1ccc(C2CNCCN2CC2CCOC2)cc1
InChIInChI=1S/C17H26N2O/c1-2-14-3-5-16(6-4-14)17-11-18-8-9-19(17)12-15-7-10-20-13-15/h3-6,15,17-18H,2,7-13H2,1H3
InChIKeyAKNGPZYWRVCPSA-UHFFFAOYSA-N
XLogP2.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-4-ylmethyl)-2-phenylpiperazine
CID 64834544
2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120769132
[2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone
CID 120740228
3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole;hydrochloride
CID 120758108
5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 120758089
1-(cyclopentylmethyl)-2-phenylpiperazine
CID 64832948
1-(cyclobutylmethyl)-2-phenylpiperazine
CID 64936519
2-(4-ethylphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 120769082
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148
N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide
CID 124968626
1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride
CID 120765370
2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120769026

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine?
The IUPAC name of 2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine (CID 120757831) is 2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine?
The canonical SMILES for 2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine is CCc1ccc(C2CNCCN2CC2CCOC2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine?
The InChIKey is AKNGPZYWRVCPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-14-3-5-16(6-4-14)17-11-18-8-9-19(17)12-15-7-10-20-13-15/h3-6,15,17-18H,2,7-13H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine?
2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine has a molecular weight of 274.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine is sourced from PubChem (CID 120757831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).