(3S)-3-(hydroxymethyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol

C15H19N3O3 — CID 95713854

IUPAC(3S)-3-(hydroxymethyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
SMILESOC[C@]1(O)CCCN(Cc2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C15H19N3O3/c19-11-15(20)7-4-8-18(10-15)9-13-16-14(21-17-13)12-5-2-1-3-6-12/h1-3,5-6,19-20H,4,7-11H2/t15-/m0/s1
InChIKeyAOZYJCMHFKSFLT-HNNXBMFYSA-N
MW289.33 g/mol
LogP1.06
Rot. Bonds4

About (3S)-3-(hydroxymethyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol

(3S)-3-(hydroxymethyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol (PubChem CID 95713854) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (3S)-3-(hydroxymethyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-3-(hydroxymethyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
PubChem CID95713854
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(3S)-3-(hydroxymethyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
SMILESOC[C@]1(O)CCCN(Cc2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C15H19N3O3/c19-11-15(20)7-4-8-18(10-15)9-13-16-14(21-17-13)12-5-2-1-3-6-12/h1-3,5-6,19-20H,4,7-11H2/t15-/m0/s1
InChIKeyAOZYJCMHFKSFLT-HNNXBMFYSA-N
XLogP1.06
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 115874108
3-amino-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107324729
1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol
CID 56906304
3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
CID 120774254
(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
CID 78963265
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol
CID 137340212
3-[[4-[(4-ethylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 4685200
N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 62545982
[(3aR,7aR)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137338769
[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915596
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 62068171
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63032406

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(hydroxymethyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol?
The IUPAC name of (3S)-3-(hydroxymethyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol (CID 95713854) is (3S)-3-(hydroxymethyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-3-(hydroxymethyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3S)-3-(hydroxymethyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol is OC[C@]1(O)CCCN(Cc2noc(-c3ccccc3)n2)C1.
What is the InChIKey of (3S)-3-(hydroxymethyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol?
The InChIKey is AOZYJCMHFKSFLT-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-11-15(20)7-4-8-18(10-15)9-13-16-14(21-17-13)12-5-2-1-3-6-12/h1-3,5-6,19-20H,4,7-11H2/t15-/m0/s1.
What are the key properties of (3S)-3-(hydroxymethyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol?
(3S)-3-(hydroxymethyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol has a molecular weight of 289.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(hydroxymethyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 95713854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).