1-(2-ethyl-5-methoxyphenyl)-4-(4-methylheptyl)piperazine

C21H36N2O — CID 143598795

IUPAC1-(2-ethyl-5-methoxyphenyl)-4-(4-methylheptyl)piperazine
SMILESCCCC(C)CCCN1CCN(c2cc(OC)ccc2CC)CC1
InChIInChI=1S/C21H36N2O/c1-5-8-18(3)9-7-12-22-13-15-23(16-14-22)21-17-20(24-4)11-10-19(21)6-2/h10-11,17-18H,5-9,12-16H2,1-4H3
InChIKeyCASKNCXBOWPZKR-UHFFFAOYSA-N
MW332.53 g/mol
LogP4.60
Rot. Bonds9

About 1-(2-ethyl-5-methoxyphenyl)-4-(4-methylheptyl)piperazine

1-(2-ethyl-5-methoxyphenyl)-4-(4-methylheptyl)piperazine (PubChem CID 143598795) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is 1-(2-ethyl-5-methoxyphenyl)-4-(4-methylheptyl)piperazine.

Molecular Properties

Compound Name1-(2-ethyl-5-methoxyphenyl)-4-(4-methylheptyl)piperazine
PubChem CID143598795
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC Name1-(2-ethyl-5-methoxyphenyl)-4-(4-methylheptyl)piperazine
SMILESCCCC(C)CCCN1CCN(c2cc(OC)ccc2CC)CC1
InChIInChI=1S/C21H36N2O/c1-5-8-18(3)9-7-12-22-13-15-23(16-14-22)21-17-20(24-4)11-10-19(21)6-2/h10-11,17-18H,5-9,12-16H2,1-4H3
InChIKeyCASKNCXBOWPZKR-UHFFFAOYSA-N
XLogP4.60
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol
CID 106802258
6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine
CID 106799286
1-[5-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-pentylpiperazine;hydrochloride
CID 23141674
1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine
CID 83941550
1-butyl-4-[5-methoxy-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine
CID 23142848
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
3-[4-(2-cyano-5-methoxyphenyl)piperazin-1-yl]propanoic acid
CID 81296330
1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
CID 119127125
1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine
CID 91824001
1-[4-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 154211827
2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone
CID 113075099
1-methoxy-3-(4-methylheptylsulfonyl)benzene
CID 143090570

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methoxyphenyl)-4-(4-methylheptyl)piperazine?
The IUPAC name of 1-(2-ethyl-5-methoxyphenyl)-4-(4-methylheptyl)piperazine (CID 143598795) is 1-(2-ethyl-5-methoxyphenyl)-4-(4-methylheptyl)piperazine.
What is the SMILES notation for 1-(2-ethyl-5-methoxyphenyl)-4-(4-methylheptyl)piperazine?
The canonical SMILES for 1-(2-ethyl-5-methoxyphenyl)-4-(4-methylheptyl)piperazine is CCCC(C)CCCN1CCN(c2cc(OC)ccc2CC)CC1.
What is the InChIKey of 1-(2-ethyl-5-methoxyphenyl)-4-(4-methylheptyl)piperazine?
The InChIKey is CASKNCXBOWPZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O/c1-5-8-18(3)9-7-12-22-13-15-23(16-14-22)21-17-20(24-4)11-10-19(21)6-2/h10-11,17-18H,5-9,12-16H2,1-4H3.
What are the key properties of 1-(2-ethyl-5-methoxyphenyl)-4-(4-methylheptyl)piperazine?
1-(2-ethyl-5-methoxyphenyl)-4-(4-methylheptyl)piperazine has a molecular weight of 332.53 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methoxyphenyl)-4-(4-methylheptyl)piperazine is sourced from PubChem (CID 143598795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).