1-[(2-fluorophenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol

C15H24FN3O — CID 65449817

IUPAC1-[(2-fluorophenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol
SMILESCN(Cc1ccccc1F)CC(O)CN1CCNCC1
InChIInChI=1S/C15H24FN3O/c1-18(10-13-4-2-3-5-15(13)16)11-14(20)12-19-8-6-17-7-9-19/h2-5,14,17,20H,6-12H2,1H3
InChIKeyKYNLSBKIVLLZRV-UHFFFAOYSA-N
MW281.37 g/mol
LogP0.52
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol

1-[(2-fluorophenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol (PubChem CID 65449817) has the molecular formula C15H24FN3O and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol
PubChem CID65449817
Molecular FormulaC15H24FN3O
Molecular Weight281.37 g/mol
Exact Mass281.19
IUPAC Name1-[(2-fluorophenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol
SMILESCN(Cc1ccccc1F)CC(O)CN1CCNCC1
InChIInChI=1S/C15H24FN3O/c1-18(10-13-4-2-3-5-15(13)16)11-14(20)12-19-8-6-17-7-9-19/h2-5,14,17,20H,6-12H2,1H3
InChIKeyKYNLSBKIVLLZRV-UHFFFAOYSA-N
XLogP0.52
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-fluorophenyl)methyl-methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904922
1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol
CID 65449633
1-(2-fluorophenyl)-3-piperazin-1-ylpropan-2-ol
CID 82292226
1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65448493
1-chloro-3-[(2-fluorophenyl)methyl-methylamino]propan-2-ol
CID 112561326
1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916375
1-[methyl-[(2-nitrophenyl)methyl]amino]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 111105714
1-[(3,4-difluorophenyl)methyl-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 111105875
4-[3-[(2-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]benzonitrile
CID 51160367
1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65448880
1-[benzyl(methyl)amino]-3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]propan-2-ol
CID 86882558
N-[(2-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine
CID 66224055

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol (CID 65449817) is 1-[(2-fluorophenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol is CN(Cc1ccccc1F)CC(O)CN1CCNCC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol?
The InChIKey is KYNLSBKIVLLZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-18(10-13-4-2-3-5-15(13)16)11-14(20)12-19-8-6-17-7-9-19/h2-5,14,17,20H,6-12H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol?
1-[(2-fluorophenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol has a molecular weight of 281.37 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 65449817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).