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

C13H20FN3O — CID 64790373

IUPAC2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol
SMILESNC(CO)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C13H20FN3O/c14-12-3-1-2-4-13(12)17-7-5-16(6-8-17)9-11(15)10-18/h1-4,11,18H,5-10,15H2
InChIKeyRKQSXBILDOBLRG-UHFFFAOYSA-N
MW253.32 g/mol
LogP0.27
Rot. Bonds4

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

2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol (PubChem CID 64790373) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol
PubChem CID64790373
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol
SMILESNC(CO)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C13H20FN3O/c14-12-3-1-2-4-13(12)17-7-5-16(6-8-17)9-11(15)10-18/h1-4,11,18H,5-10,15H2
InChIKeyRKQSXBILDOBLRG-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

3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 113343915
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 28775333
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide
CID 54937463
(2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476125
(2S)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476124
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342
2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide
CID 63030253
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide
CID 63570573
1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 116679480
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64790760
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
CID 51363004

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol (CID 64790373) is 2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol is NC(CO)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol?
The InChIKey is RKQSXBILDOBLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c14-12-3-1-2-4-13(12)17-7-5-16(6-8-17)9-11(15)10-18/h1-4,11,18H,5-10,15H2.
What are the key properties of 2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol?
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-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 2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 64790373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).