1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine

C16H25FN2O — CID 64846052

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
SMILESCOc1ccc(CN2CCNCC2CC(C)C)cc1F
InChIInChI=1S/C16H25FN2O/c1-12(2)8-14-10-18-6-7-19(14)11-13-4-5-16(20-3)15(17)9-13/h4-5,9,12,14,18H,6-8,10-11H2,1-3H3
InChIKeyOKWFYXJLPDKUJY-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.65
Rot. Bonds5

About 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine

1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine (PubChem CID 64846052) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
PubChem CID64846052
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
SMILESCOc1ccc(CN2CCNCC2CC(C)C)cc1F
InChIInChI=1S/C16H25FN2O/c1-12(2)8-14-10-18-6-7-19(14)11-13-4-5-16(20-3)15(17)9-13/h4-5,9,12,14,18H,6-8,10-11H2,1-3H3
InChIKeyOKWFYXJLPDKUJY-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 102879490
1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 64844274
1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine
CID 65441884
1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
CID 66202694
(2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpiperazine
CID 82755517
5-[(3-fluoro-4-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60916050
1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 82299031
2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 2996996
(2S)-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)piperidine
CID 99951624
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 54986057
2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide
CID 69347794
1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine
CID 120910574

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine (CID 64846052) is 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine is COc1ccc(CN2CCNCC2CC(C)C)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine?
The InChIKey is OKWFYXJLPDKUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(2)8-14-10-18-6-7-19(14)11-13-4-5-16(20-3)15(17)9-13/h4-5,9,12,14,18H,6-8,10-11H2,1-3H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine?
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine has a molecular weight of 280.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 64846052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).