[(2S,3R)-1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanol

C14H22N2O2 — CID 138054393

IUPAC[(2S,3R)-1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanol
SMILESC[C@@H]1CCCN(Cc2cnc(C3CC3)o2)[C@@H]1CO
InChIInChI=1S/C14H22N2O2/c1-10-3-2-6-16(13(10)9-17)8-12-7-15-14(18-12)11-4-5-11/h7,10-11,13,17H,2-6,8-9H2,1H3/t10-,13-/m1/s1
InChIKeyUBVFFXPPQVCMMD-ZWNOBZJWSA-N
MW250.34 g/mol
LogP2.14
Rot. Bonds4

About [(2S,3R)-1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanol

[(2S,3R)-1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanol (PubChem CID 138054393) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [(2S,3R)-1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanol
PubChem CID138054393
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[(2S,3R)-1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanol
SMILESC[C@@H]1CCCN(Cc2cnc(C3CC3)o2)[C@@H]1CO
InChIInChI=1S/C14H22N2O2/c1-10-3-2-6-16(13(10)9-17)8-12-7-15-14(18-12)11-4-5-11/h7,10-11,13,17H,2-6,8-9H2,1H3/t10-,13-/m1/s1
InChIKeyUBVFFXPPQVCMMD-ZWNOBZJWSA-N
XLogP2.14
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanol?
The IUPAC name of [(2S,3R)-1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanol (CID 138054393) is [(2S,3R)-1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanol is C[C@@H]1CCCN(Cc2cnc(C3CC3)o2)[C@@H]1CO.
What is the InChIKey of [(2S,3R)-1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanol?
The InChIKey is UBVFFXPPQVCMMD-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-3-2-6-16(13(10)9-17)8-12-7-15-14(18-12)11-4-5-11/h7,10-11,13,17H,2-6,8-9H2,1H3/t10-,13-/m1/s1.
What are the key properties of [(2S,3R)-1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanol?
[(2S,3R)-1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanol has a molecular weight of 250.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanol is sourced from PubChem (CID 138054393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).