1-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-2-ol

C12H18FN3O — CID 123788434

IUPAC1-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-2-ol
SMILESCC(O)Cc1cnc(N2CCNCC2)c(F)c1
InChIInChI=1S/C12H18FN3O/c1-9(17)6-10-7-11(13)12(15-8-10)16-4-2-14-3-5-16/h7-9,14,17H,2-6H2,1H3
InChIKeyKTTGVMRFJPYOKO-UHFFFAOYSA-N
MW239.29 g/mol
LogP0.55
Rot. Bonds3

About 1-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-2-ol

1-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-2-ol (PubChem CID 123788434) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-2-ol
PubChem CID123788434
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name1-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-2-ol
SMILESCC(O)Cc1cnc(N2CCNCC2)c(F)c1
InChIInChI=1S/C12H18FN3O/c1-9(17)6-10-7-11(13)12(15-8-10)16-4-2-14-3-5-16/h7-9,14,17H,2-6H2,1H3
InChIKeyKTTGVMRFJPYOKO-UHFFFAOYSA-N
XLogP0.55
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-2-ol with MolForge

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Related Compounds

Azaperol
CID 3080589
(S)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-yl)-butan-1-ol
CID 44350942
(R)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-yl)-butan-1-ol
CID 44350991
cis-(1S,5R)-3,3,5-trimethyl-5-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 70687372
cis-(1S,5R)-3,3,5-trimethyl-5-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol
CID 70689435
Phenethylamine, N-(2-pyridyl)-alpha-hydroxy-, hydrochloride
CID 113821
1-(1-{[6-(Dimethylamino)-3-pyridinyl]methyl}-4-piperidinyl)-2-phenylethanol
CID 56909726
1-(1-{[6-(Dimethylamino)-3-pyridinyl]methyl}-4-piperidinyl)-3-methyl-1-butanol
CID 70750051
[2-Piperazin-1-yl-5-(trifluoromethyl)-3-pyridyl]methanol hydrochloride
CID 177651336
AZAPERONE_met025
CID 171115052
1-(4-Fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 16676168
{1-[5-(Aminomethyl)pyridin-2-yl]piperidin-4-yl}methanol
CID 43133087

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-2-ol?
The IUPAC name of 1-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-2-ol (CID 123788434) is 1-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-2-ol.
What is the SMILES notation for 1-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-2-ol?
The canonical SMILES for 1-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-2-ol is CC(O)Cc1cnc(N2CCNCC2)c(F)c1.
What is the InChIKey of 1-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-2-ol?
The InChIKey is KTTGVMRFJPYOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-9(17)6-10-7-11(13)12(15-8-10)16-4-2-14-3-5-16/h7-9,14,17H,2-6H2,1H3.
What are the key properties of 1-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-2-ol?
1-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-2-ol has a molecular weight of 239.29 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 123788434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).