1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine

C17H28N2O — CID 65441884

IUPAC1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine
SMILESCOc1ccc(CCN2CCNCC2CC(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)12-16-13-18-9-11-19(16)10-8-15-4-6-17(20-3)7-5-15/h4-7,14,16,18H,8-13H2,1-3H3
InChIKeyNAVWBKRBJYDUHN-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.56
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine

1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine (PubChem CID 65441884) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine
PubChem CID65441884
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine
SMILESCOc1ccc(CCN2CCNCC2CC(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)12-16-13-18-9-11-19(16)10-8-15-4-6-17(20-3)7-5-15/h4-7,14,16,18H,8-13H2,1-3H3
InChIKeyNAVWBKRBJYDUHN-UHFFFAOYSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine
CID 82251821
1-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine
CID 82250822
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 102879490
2-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine
CID 64846847
1-(2-fluoroethyl)-2-(2-methylpropyl)piperazine
CID 80694838
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 64846052
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol
CID 114337924
1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 64844274
[1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine
CID 65446764
1-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]piperazine
CID 82308956
(4aS,8aR)-4-[2-(4-methoxyphenyl)ethyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124675884
1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine
CID 116941744

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine (CID 65441884) is 1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine is COc1ccc(CCN2CCNCC2CC(C)C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine?
The InChIKey is NAVWBKRBJYDUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)12-16-13-18-9-11-19(16)10-8-15-4-6-17(20-3)7-5-15/h4-7,14,16,18H,8-13H2,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine?
1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine has a molecular weight of 276.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 65441884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).