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

C15H18BrN3O2 — CID 60670195

IUPAC[1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2nnc(-c3ccc(Br)cc3)o2)C1
InChIInChI=1S/C15H18BrN3O2/c16-13-5-3-12(4-6-13)15-18-17-14(21-15)9-19-7-1-2-11(8-19)10-20/h3-6,11,20H,1-2,7-10H2
InChIKeyKJUOAZVWCXNMOZ-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.70
Rot. Bonds4

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

[1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol (PubChem CID 60670195) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is [1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
PubChem CID60670195
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name[1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2nnc(-c3ccc(Br)cc3)o2)C1
InChIInChI=1S/C15H18BrN3O2/c16-13-5-3-12(4-6-13)15-18-17-14(21-15)9-19-7-1-2-11(8-19)10-20/h3-6,11,20H,1-2,7-10H2
InChIKeyKJUOAZVWCXNMOZ-UHFFFAOYSA-N
XLogP2.70
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60642415
1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60669557
[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60670196
2-(4-bromophenyl)-5-[[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 97236232
[1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol
CID 60642590
2-(4-methylphenyl)-5-[(3-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 110651713
4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
CID 18087170
1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 47473957
1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbaldehyde
CID 62654115
1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylpiperidin-3-amine
CID 79993305
[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol
CID 62020620
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 87017418

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol (CID 60670195) is [1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol is OCC1CCCN(Cc2nnc(-c3ccc(Br)cc3)o2)C1.
What is the InChIKey of [1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol?
The InChIKey is KJUOAZVWCXNMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c16-13-5-3-12(4-6-13)15-18-17-14(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-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol?
[1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol has a molecular weight of 352.23 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 60670195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).