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

C11H19N3O2 — CID 103656955

IUPAC1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol
SMILESCc1nc(CN2CCC(C(C)O)CC2)no1
InChIInChI=1S/C11H19N3O2/c1-8(15)10-3-5-14(6-4-10)7-11-12-9(2)16-13-11/h8,10,15H,3-7H2,1-2H3
InChIKeyQDAPKRCLKBDHOE-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.97
Rot. Bonds3

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

1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol (PubChem CID 103656955) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol
PubChem CID103656955
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol
SMILESCc1nc(CN2CCC(C(C)O)CC2)no1
InChIInChI=1S/C11H19N3O2/c1-8(15)10-3-5-14(6-4-10)7-11-12-9(2)16-13-11/h8,10,15H,3-7H2,1-2H3
InChIKeyQDAPKRCLKBDHOE-UHFFFAOYSA-N
XLogP0.97
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol
CID 114218079
1-[1-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 111114040
5-methyl-3-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 87014214
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 106402344
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062544
1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]ethanol
CID 107052605
3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid
CID 81046675
5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 171328197
1-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115966872
N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyridin-2-amine
CID 155975492
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 55256456
3-bromo-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
CID 106408238

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol (CID 103656955) is 1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol is Cc1nc(CN2CCC(C(C)O)CC2)no1.
What is the InChIKey of 1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol?
The InChIKey is QDAPKRCLKBDHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(15)10-3-5-14(6-4-10)7-11-12-9(2)16-13-11/h8,10,15H,3-7H2,1-2H3.
What are the key properties of 1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol?
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol has a molecular weight of 225.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 103656955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).