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

C11H18N2O2 — CID 107226246

IUPAC(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol
SMILESCc1nc(CN2CCC[C@H](O)C2)oc1C
InChIInChI=1S/C11H18N2O2/c1-8-9(2)15-11(12-8)7-13-5-3-4-10(14)6-13/h10,14H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyLQQVESCIIRAFGM-JTQLQIEISA-N
MW210.28 g/mol
LogP1.25
Rot. Bonds2

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

(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol (PubChem CID 107226246) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol
PubChem CID107226246
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol
SMILESCc1nc(CN2CCC[C@H](O)C2)oc1C
InChIInChI=1S/C11H18N2O2/c1-8-9(2)15-11(12-8)7-13-5-3-4-10(14)6-13/h10,14H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyLQQVESCIIRAFGM-JTQLQIEISA-N
XLogP1.25
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910249
1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61204064
[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanesulfonamide
CID 95627720
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493821
[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961231
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4,5-dimethyl-1,3-oxazole
CID 81490315
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918697
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114180494
(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 129470952
(3S)-1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 107225975
cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 129445632
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride
CID 119923701

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol (CID 107226246) is (3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol is Cc1nc(CN2CCC[C@H](O)C2)oc1C.
What is the InChIKey of (3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol?
The InChIKey is LQQVESCIIRAFGM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-9(2)15-11(12-8)7-13-5-3-4-10(14)6-13/h10,14H,3-7H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol?
(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol has a molecular weight of 210.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 107226246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).