(1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol

C19H25N3O2 — CID 95780115

IUPAC(1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1[C@@H](O)CN1CCC[C@H](c2noc(C3CC3)n2)C1
InChIInChI=1S/C19H25N3O2/c1-13-5-2-3-7-16(13)17(23)12-22-10-4-6-15(11-22)18-20-19(24-21-18)14-8-9-14/h2-3,5,7,14-15,17,23H,4,6,8-12H2,1H3/t15-,17-/m0/s1
InChIKeyUFPGCBFEISMANG-RDJZCZTQSA-N
MW327.43 g/mol
LogP3.17
Rot. Bonds5

About (1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol

(1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol (PubChem CID 95780115) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol
PubChem CID95780115
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1[C@@H](O)CN1CCC[C@H](c2noc(C3CC3)n2)C1
InChIInChI=1S/C19H25N3O2/c1-13-5-2-3-7-16(13)17(23)12-22-10-4-6-15(11-22)18-20-19(24-21-18)14-8-9-14/h2-3,5,7,14-15,17,23H,4,6,8-12H2,1H3/t15-,17-/m0/s1
InChIKeyUFPGCBFEISMANG-RDJZCZTQSA-N
XLogP3.17
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol with MolForge

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Related Compounds

(1S)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol
CID 100839467
2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol
CID 62973662
1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66370370
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol
CID 55159139
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol
CID 110903115
5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 95780160
5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 71928571
1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120852446
2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 100837584
3-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119952465
4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile
CID 95780111
2-cyclopropyl-5-[[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95780156

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol?
The IUPAC name of (1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol (CID 95780115) is (1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol.
What is the SMILES notation for (1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol?
The canonical SMILES for (1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol is Cc1ccccc1[C@@H](O)CN1CCC[C@H](c2noc(C3CC3)n2)C1.
What is the InChIKey of (1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol?
The InChIKey is UFPGCBFEISMANG-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-5-2-3-7-16(13)17(23)12-22-10-4-6-15(11-22)18-20-19(24-21-18)14-8-9-14/h2-3,5,7,14-15,17,23H,4,6,8-12H2,1H3/t15-,17-/m0/s1.
What are the key properties of (1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol?
(1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol has a molecular weight of 327.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 95780115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).