1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one

C18H22FN3O2 — CID 111434248

IUPAC1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H22FN3O2/c19-16-4-2-14(3-5-16)18(24)15-6-11-21(12-7-15)17(23)8-13-22-10-1-9-20-22/h1-5,9-10,15,18,24H,6-8,11-13H2
InChIKeyAEWJWPAYTXHOLN-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.38
Rot. Bonds5

About 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one

1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one (PubChem CID 111434248) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
PubChem CID111434248
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H22FN3O2/c19-16-4-2-14(3-5-16)18(24)15-6-11-21(12-7-15)17(23)8-13-22-10-1-9-20-22/h1-5,9-10,15,18,24H,6-8,11-13H2
InChIKeyAEWJWPAYTXHOLN-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 111109335
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 110887265
N-ethyl-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-4-oxobutanamide
CID 111434257
(E)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 75407583
1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(3-methyl-4-pyridinyl)ethanone
CID 124618206
1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 95557612
2-ethyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
CID 111434247
1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
CID 176931568
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 112630745
3-hydroxy-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479909
2-(5-fluoroindol-1-yl)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone
CID 167906084
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone
CID 124619104

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one (CID 111434248) is 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one is O=C(CCn1cccn1)N1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The InChIKey is AEWJWPAYTXHOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c19-16-4-2-14(3-5-16)18(24)15-6-11-21(12-7-15)17(23)8-13-22-10-1-9-20-22/h1-5,9-10,15,18,24H,6-8,11-13H2.
What are the key properties of 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one has a molecular weight of 331.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 111434248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).