4-fluoro-3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol

C9H14FN3O — CID 126655635

IUPAC4-fluoro-3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol
SMILESCC1(O)CN(c2ccn[nH]2)CCC1F
InChIInChI=1S/C9H14FN3O/c1-9(14)6-13(5-3-7(9)10)8-2-4-11-12-8/h2,4,7,14H,3,5-6H2,1H3,(H,11,12)
InChIKeyHIFIFKABLVPQKS-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.71
Rot. Bonds1

About 4-fluoro-3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol

4-fluoro-3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol (PubChem CID 126655635) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 4-fluoro-3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol.

Molecular Properties

Compound Name4-fluoro-3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol
PubChem CID126655635
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name4-fluoro-3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol
SMILESCC1(O)CN(c2ccn[nH]2)CCC1F
InChIInChI=1S/C9H14FN3O/c1-9(14)6-13(5-3-7(9)10)8-2-4-11-12-8/h2,4,7,14H,3,5-6H2,1H3,(H,11,12)
InChIKeyHIFIFKABLVPQKS-UHFFFAOYSA-N
XLogP0.71
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 126655317
(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 126655318
(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 126655319
4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol
CID 126655513
(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 126677645
ethane;1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 145270682
1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 145270690
(3S)-3-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 162598610
1-(1H-pyrazol-5-yl)piperidin-4-ol
CID 96225019
3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol
CID 126655295
1-(1H-pyrazol-5-yl)piperidin-3-ol
CID 126655304
[1-(1H-pyrazol-5-yl)piperidin-3-yl]methanol
CID 126655339

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol?
The IUPAC name of 4-fluoro-3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol (CID 126655635) is 4-fluoro-3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol.
What is the SMILES notation for 4-fluoro-3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol?
The canonical SMILES for 4-fluoro-3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol is CC1(O)CN(c2ccn[nH]2)CCC1F.
What is the InChIKey of 4-fluoro-3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol?
The InChIKey is HIFIFKABLVPQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-9(14)6-13(5-3-7(9)10)8-2-4-11-12-8/h2,4,7,14H,3,5-6H2,1H3,(H,11,12).
What are the key properties of 4-fluoro-3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol?
4-fluoro-3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol has a molecular weight of 199.23 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol is sourced from PubChem (CID 126655635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).