1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol

C13H20FN3O — CID 82298497

IUPAC1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESNCC(O)CN1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C13H20FN3O/c14-11-2-1-3-12(8-11)17-6-4-16(5-7-17)10-13(18)9-15/h1-3,8,13,18H,4-7,9-10,15H2
InChIKeyOQYWIOJWXZKBKO-UHFFFAOYSA-N
MW253.32 g/mol
LogP0.27
Rot. Bonds4

About 1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol

1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol (PubChem CID 82298497) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol
PubChem CID82298497
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESNCC(O)CN1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C13H20FN3O/c14-11-2-1-3-12(8-11)17-6-4-16(5-7-17)10-13(18)9-15/h1-3,8,13,18H,4-7,9-10,15H2
InChIKeyOQYWIOJWXZKBKO-UHFFFAOYSA-N
XLogP0.27
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
CID 94183925
3-[4-(3-fluorophenyl)piperazin-1-yl]propanoic acid
CID 82119624
1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol
CID 43245851
1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol
CID 58358793
3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110883491
1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 82297180
1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol
CID 62044767
(2S)-1-(4-fluorophenyl)sulfanyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 1476177
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol
CID 43187937
1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 63933549
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidine-2,5-dione
CID 10247408
1-[4-(4-aminophenyl)piperazin-1-yl]-3-fluoropropan-2-ol
CID 67169964

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol (CID 82298497) is 1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol is NCC(O)CN1CCN(c2cccc(F)c2)CC1.
What is the InChIKey of 1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is OQYWIOJWXZKBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c14-11-2-1-3-12(8-11)17-6-4-16(5-7-17)10-13(18)9-15/h1-3,8,13,18H,4-7,9-10,15H2.
What are the key properties of 1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol?
1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 253.32 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 82298497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).