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

C12H21N3O2 — CID 47035135

IUPAC[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
SMILESCC(C)c1noc(CN2CCC(CO)CC2)n1
InChIInChI=1S/C12H21N3O2/c1-9(2)12-13-11(17-14-12)7-15-5-3-10(8-16)4-6-15/h9-10,16H,3-8H2,1-2H3
InChIKeyYTVPIHBJQHCQKY-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.40
Rot. Bonds4

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

[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol (PubChem CID 47035135) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is [1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
PubChem CID47035135
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
SMILESCC(C)c1noc(CN2CCC(CO)CC2)n1
InChIInChI=1S/C12H21N3O2/c1-9(2)12-13-11(17-14-12)7-15-5-3-10(8-16)4-6-15/h9-10,16H,3-8H2,1-2H3
InChIKeyYTVPIHBJQHCQKY-UHFFFAOYSA-N
XLogP1.40
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-((3-(Cyclopropylmethyl)-1,2,4-oxadiazol-5-yl)methyl)piperazin-1-yl)-N,N-dimethylacetamide
CID 16190695
N-methyl-N-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 16190461
2-(4-((3-Propyl-1,2,4-oxadiazol-5-yl)methyl)piperazin-1-yl)ethan-1-ol
CID 45250157
4-[[3-(2-Methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 45806304
2-[4-[1-(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanol
CID 45807995
3-Methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 45813892
2-[4-[(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47020398
5-[(4-Ethylpiperazin-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 47020900
2-[4-[[3-(2-Methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol
CID 47020907
5-[[4-(3-Methylbutyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 47039404
5-[[4-(3-Methylbutyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 47039405
1-[1-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 51076075

Frequently Asked Questions

What is the IUPAC name of [1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol (CID 47035135) is [1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol is CC(C)c1noc(CN2CCC(CO)CC2)n1.
What is the InChIKey of [1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is YTVPIHBJQHCQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)12-13-11(17-14-12)7-15-5-3-10(8-16)4-6-15/h9-10,16H,3-8H2,1-2H3.
What are the key properties of [1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol?
[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 239.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 47035135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).