1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol;methane

C21H29FN2O2 — CID 160640045

IUPAC1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol;methane
SMILESC.COc1ccccc1N1CCN(C(C)C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H25FN2O2.CH4/c1-15(20(24)16-7-9-17(21)10-8-16)22-11-13-23(14-12-22)18-5-3-4-6-19(18)25-2;/h3-10,15,20,24H,11-14H2,1-2H3;1H4
InChIKeyRJBBXJMDYUOMMA-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.71
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol;methane

1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol;methane (PubChem CID 160640045) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol;methane.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol;methane
PubChem CID160640045
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC Name1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol;methane
SMILESC.COc1ccccc1N1CCN(C(C)C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H25FN2O2.CH4/c1-15(20(24)16-7-9-17(21)10-8-16)22-11-13-23(14-12-22)18-5-3-4-6-19(18)25-2;/h3-10,15,20,24H,11-14H2,1-2H3;1H4
InChIKeyRJBBXJMDYUOMMA-UHFFFAOYSA-N
XLogP3.71
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 46832946
1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine
CID 40514838
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid
CID 22681684
4-fluoro-N-[(1R,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 28821525
3-[4-(2-methoxyphenyl)piperazin-1-yl]butanethioamide
CID 60915055
N-[1-(2,4-difluorophenyl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 55472250
N'-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]butanimidamide
CID 76883662
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318
1-[(R)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 7388443

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol;methane?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol;methane (CID 160640045) is 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol;methane.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol;methane?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol;methane is C.COc1ccccc1N1CCN(C(C)C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol;methane?
The InChIKey is RJBBXJMDYUOMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2.CH4/c1-15(20(24)16-7-9-17(21)10-8-16)22-11-13-23(14-12-22)18-5-3-4-6-19(18)25-2;/h3-10,15,20,24H,11-14H2,1-2H3;1H4.
What are the key properties of 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol;methane?
1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol;methane has a molecular weight of 360.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol;methane is sourced from PubChem (CID 160640045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).