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

C12H21N3O3 — CID 56895056

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

(3R,4R)-4-(hydroxymethyl)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol (PubChem CID 56895056) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is (3R,4R)-4-(hydroxymethyl)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol.

Molecular Properties

• Compound Name: (3R,4R)-4-(hydroxymethyl)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
• PubChem CID: 56895056
• Molecular Formula: C12H21N3O3
• Molecular Weight: 255.32 g/mol
• Exact Mass: 255.16
• IUPAC Name: (3R,4R)-4-(hydroxymethyl)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
• SMILES: CC(C)c1nnc(CN2CC[C@H](CO)[C@@H](O)C2)o1
• InChI: InChI=1S/C12H21N3O3/c1-8(2)12-14-13-11(18-12)6-15-4-3-9(7-16)10(17)5-15/h8-10,16-17H,3-7H2,1-2H3/t9-,10+/m1/s1
• InChIKey: GUVWGWVKODJWJX-ZJUUUORDSA-N
• XLogP: 0.37
• TPSA: 82.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.32
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(hydroxymethyl)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol?

The IUPAC name of (3R,4R)-4-(hydroxymethyl)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol (CID 56895056) is (3R,4R)-4-(hydroxymethyl)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol.

What is the SMILES notation for (3R,4R)-4-(hydroxymethyl)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol?

The canonical SMILES for (3R,4R)-4-(hydroxymethyl)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol is CC(C)c1nnc(CN2CC[C@H](CO)[C@@H](O)C2)o1.

What is the InChIKey of (3R,4R)-4-(hydroxymethyl)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol?

The InChIKey is GUVWGWVKODJWJX-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(2)12-14-13-11(18-12)6-15-4-3-9(7-16)10(17)5-15/h8-10,16-17H,3-7H2,1-2H3/t9-,10+/m1/s1.

What are the key properties of (3R,4R)-4-(hydroxymethyl)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol?

(3R,4R)-4-(hydroxymethyl)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol has a molecular weight of 255.32 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-4-(hydroxymethyl)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 56895056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).