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

C17H23N3O2 — CID 111461982

IUPAC1-[1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]ethanol
SMILESCc1ccccc1-c1nnc(CN2CCC(C(C)O)CC2)o1
InChIInChI=1S/C17H23N3O2/c1-12-5-3-4-6-15(12)17-19-18-16(22-17)11-20-9-7-14(8-10-20)13(2)21/h3-6,13-14,21H,7-11H2,1-2H3
InChIKeyQEZYKCNOKKMJQN-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.64
Rot. Bonds4

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

1-[1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]ethanol (PubChem CID 111461982) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]ethanol
PubChem CID111461982
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]ethanol
SMILESCc1ccccc1-c1nnc(CN2CCC(C(C)O)CC2)o1
InChIInChI=1S/C17H23N3O2/c1-12-5-3-4-6-15(12)17-19-18-16(22-17)11-20-9-7-14(8-10-20)13(2)21/h3-6,13-14,21H,7-11H2,1-2H3
InChIKeyQEZYKCNOKKMJQN-UHFFFAOYSA-N
XLogP2.64
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]butan-1-ol
CID 111489707
4-[5-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]benzonitrile
CID 111487995
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 15990244
1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542422
1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628366
2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643063
2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 18088347
2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 110656446
2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643022
2-[5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]phenol
CID 136563178
(3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 169101326
2-(2-chlorophenyl)-5-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 30727885

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]ethanol (CID 111461982) is 1-[1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]ethanol is Cc1ccccc1-c1nnc(CN2CCC(C(C)O)CC2)o1.
What is the InChIKey of 1-[1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]ethanol?
The InChIKey is QEZYKCNOKKMJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-5-3-4-6-15(12)17-19-18-16(22-17)11-20-9-7-14(8-10-20)13(2)21/h3-6,13-14,21H,7-11H2,1-2H3.
What are the key properties of 1-[1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]ethanol?
1-[1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]ethanol has a molecular weight of 301.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 111461982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).