1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine

C20H25FN2O — CID 175659920

IUPAC1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine
SMILESCC(C)Oc1ccc(C2CNCCN2Cc2cccc(F)c2)cc1
InChIInChI=1S/C20H25FN2O/c1-15(2)24-19-8-6-17(7-9-19)20-13-22-10-11-23(20)14-16-4-3-5-18(21)12-16/h3-9,12,15,20,22H,10-11,13-14H2,1-2H3
InChIKeyKLJOYVGBSCQFPM-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.76
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine

1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine (PubChem CID 175659920) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine
PubChem CID175659920
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine
SMILESCC(C)Oc1ccc(C2CNCCN2Cc2cccc(F)c2)cc1
InChIInChI=1S/C20H25FN2O/c1-15(2)24-19-8-6-17(7-9-19)20-13-22-10-11-23(20)14-16-4-3-5-18(21)12-16/h3-9,12,15,20,22H,10-11,13-14H2,1-2H3
InChIKeyKLJOYVGBSCQFPM-UHFFFAOYSA-N
XLogP3.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine
CID 175659582
(2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 124944321
2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 175656523
1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880
2-ethyl-1-[(3-fluorophenyl)methyl]piperazine
CID 63602697
1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine
CID 175660271
(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
CID 99906556
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768465
1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 20895836
4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 175660267
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine (CID 175659920) is 1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine is CC(C)Oc1ccc(C2CNCCN2Cc2cccc(F)c2)cc1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine?
The InChIKey is KLJOYVGBSCQFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-15(2)24-19-8-6-17(7-9-19)20-13-22-10-11-23(20)14-16-4-3-5-18(21)12-16/h3-9,12,15,20,22H,10-11,13-14H2,1-2H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine?
1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine has a molecular weight of 328.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine is sourced from PubChem (CID 175659920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).