1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol

C13H22N2O2 — CID 114511165

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol
SMILESCCC1CN(Cc2c(C)noc2C)CCC1O
InChIInChI=1S/C13H22N2O2/c1-4-11-7-15(6-5-13(11)16)8-12-9(2)14-17-10(12)3/h11,13,16H,4-8H2,1-3H3
InChIKeyBGIQXSPYTZFJAG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.88
Rot. Bonds3

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol (PubChem CID 114511165) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol
PubChem CID114511165
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol
SMILESCCC1CN(Cc2c(C)noc2C)CCC1O
InChIInChI=1S/C13H22N2O2/c1-4-11-7-15(6-5-13(11)16)8-12-9(2)14-17-10(12)3/h11,13,16H,4-8H2,1-3H3
InChIKeyBGIQXSPYTZFJAG-UHFFFAOYSA-N
XLogP1.88
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 56828639
(3R,4R)-4-(cyclopentylamino)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-ol
CID 118781597
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907958
4-[[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 124793779
5-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 94207638
(2S,3aS,7aS)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369431
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-3-carbaldehyde
CID 62654932
3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114511212
N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 118796076
1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol
CID 114510889
(2R)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 98042032

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol (CID 114511165) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol is CCC1CN(Cc2c(C)noc2C)CCC1O.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol?
The InChIKey is BGIQXSPYTZFJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-11-7-15(6-5-13(11)16)8-12-9(2)14-17-10(12)3/h11,13,16H,4-8H2,1-3H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol has a molecular weight of 238.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol is sourced from PubChem (CID 114511165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).