2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol

C16H21N3O2 — CID 110903115

IUPAC2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol
SMILESCc1noc(C2CCN(CC(O)c3ccccc3)CC2)n1
InChIInChI=1S/C16H21N3O2/c1-12-17-16(21-18-12)14-7-9-19(10-8-14)11-15(20)13-5-3-2-4-6-13/h2-6,14-15,20H,7-11H2,1H3
InChIKeyUKOJSGMJQBXVNR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.29
Rot. Bonds4

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

2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol (PubChem CID 110903115) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol
PubChem CID110903115
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol
SMILESCc1noc(C2CCN(CC(O)c3ccccc3)CC2)n1
InChIInChI=1S/C16H21N3O2/c1-12-17-16(21-18-12)14-7-9-19(10-8-14)11-15(20)13-5-3-2-4-6-13/h2-6,14-15,20H,7-11H2,1H3
InChIKeyUKOJSGMJQBXVNR-UHFFFAOYSA-N
XLogP2.29
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol
CID 111487555
1-[benzyl(methyl)amino]-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-ol
CID 110929917
1-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
CID 110903106
(1S)-2-[4-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95292947
(1S)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol
CID 100839467
2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol
CID 91829068
(2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-phenylacetamide
CID 94571895
(1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95161589
(1R)-2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95309336
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 51120866
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
CID 60525714
(2S)-2-amino-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119301181

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol (CID 110903115) is 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol is Cc1noc(C2CCN(CC(O)c3ccccc3)CC2)n1.
What is the InChIKey of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol?
The InChIKey is UKOJSGMJQBXVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-17-16(21-18-12)14-7-9-19(10-8-14)11-15(20)13-5-3-2-4-6-13/h2-6,14-15,20H,7-11H2,1H3.
What are the key properties of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol?
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol has a molecular weight of 287.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 110903115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).