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

C15H18ClN3O2 — CID 62020620

IUPAC[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2noc(-c3ccc(Cl)cc3)n2)C1
InChIInChI=1S/C15H18ClN3O2/c16-13-5-3-12(4-6-13)15-17-14(18-21-15)9-19-7-1-2-11(8-19)10-20/h3-6,11,20H,1-2,7-10H2
InChIKeyITPQVVXKRWNEGK-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.59
Rot. Bonds4

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

[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol (PubChem CID 62020620) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is [1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol
PubChem CID62020620
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2noc(-c3ccc(Cl)cc3)n2)C1
InChIInChI=1S/C15H18ClN3O2/c16-13-5-3-12(4-6-13)15-17-14(18-21-15)9-19-7-1-2-11(8-19)10-20/h3-6,11,20H,1-2,7-10H2
InChIKeyITPQVVXKRWNEGK-UHFFFAOYSA-N
XLogP2.59
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol (CID 62020620) is [1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol is OCC1CCCN(Cc2noc(-c3ccc(Cl)cc3)n2)C1.
What is the InChIKey of [1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol?
The InChIKey is ITPQVVXKRWNEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-13-5-3-12(4-6-13)15-17-14(18-21-15)9-19-7-1-2-11(8-19)10-20/h3-6,11,20H,1-2,7-10H2.
What are the key properties of [1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol?
[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol has a molecular weight of 307.78 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 62020620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).