[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanol

C18H22FN3O2 — CID 111109144

IUPAC[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)C1CCN(Cc2nnc(C3CC3)o2)CC1
InChIInChI=1S/C18H22FN3O2/c19-15-5-3-12(4-6-15)17(23)13-7-9-22(10-8-13)11-16-20-21-18(24-16)14-1-2-14/h3-6,13-14,17,23H,1-2,7-11H2
InChIKeyXYDWSGZWFDTIPK-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.03
Rot. Bonds5

About [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanol

[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanol (PubChem CID 111109144) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanol
PubChem CID111109144
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)C1CCN(Cc2nnc(C3CC3)o2)CC1
InChIInChI=1S/C18H22FN3O2/c19-15-5-3-12(4-6-15)17(23)13-7-9-22(10-8-13)11-16-20-21-18(24-16)14-1-2-14/h3-6,13-14,17,23H,1-2,7-11H2
InChIKeyXYDWSGZWFDTIPK-UHFFFAOYSA-N
XLogP3.03
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanol with MolForge

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Related Compounds

(4-fluorophenyl)-[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methanol
CID 167986384
(4-fluorophenyl)-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methanol
CID 111434911
(R)-(4-fluorophenyl)-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 124621837
[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 111109189
(2S)-1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95308399
2-cyclopropyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 47520325
2-cyclopropyl-5-[[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 171999804
[1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol
CID 134043042
1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 47520358
(4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol
CID 110170343
1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepan-5-one
CID 56880772
2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 47704652

Frequently Asked Questions

What is the IUPAC name of [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanol (CID 111109144) is [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)C1CCN(Cc2nnc(C3CC3)o2)CC1.
What is the InChIKey of [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanol?
The InChIKey is XYDWSGZWFDTIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c19-15-5-3-12(4-6-15)17(23)13-7-9-22(10-8-13)11-16-20-21-18(24-16)14-1-2-14/h3-6,13-14,17,23H,1-2,7-11H2.
What are the key properties of [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanol?
[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanol has a molecular weight of 331.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 111109144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).