1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine

C14H22FN3O — CID 81101377

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine
SMILESCOCC(N)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H22FN3O/c1-19-11-13(16)10-17-6-8-18(9-7-17)14-4-2-12(15)3-5-14/h2-5,13H,6-11,16H2,1H3
InChIKeyXZEONIDUBUEJSX-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.92
Rot. Bonds5

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine (PubChem CID 81101377) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine
PubChem CID81101377
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine
SMILESCOCC(N)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H22FN3O/c1-19-11-13(16)10-17-6-8-18(9-7-17)14-4-2-12(15)3-5-14/h2-5,13H,6-11,16H2,1H3
InChIKeyXZEONIDUBUEJSX-UHFFFAOYSA-N
XLogP0.92
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 43398425
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine
CID 62477828
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenylphenyl)propan-2-amine
CID 69186117
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine
CID 62573942
2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol
CID 64792176
1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 3667051
1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-2-amine
CID 43650418
1-(2,2-diphenylethyl)-4-(4-fluorophenyl)piperazine
CID 1376189
1-(2-bromo-3,3,3-trifluoropropyl)-4-(4-fluorophenyl)piperazine
CID 64758736
(2R)-1-(2,6-dimethoxyphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1217443
1-(2-tert-butylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 126476542
1-[(2R)-2,3-dimethoxypropyl]-4-phenylpiperazine
CID 95561199

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine (CID 81101377) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine is COCC(N)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine?
The InChIKey is XZEONIDUBUEJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-19-11-13(16)10-17-6-8-18(9-7-17)14-4-2-12(15)3-5-14/h2-5,13H,6-11,16H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine?
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine has a molecular weight of 267.35 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine is sourced from PubChem (CID 81101377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).