(3-hydroxy-3-propan-2-ylazetidin-1-yl)-piperidin-2-ylmethanone

C12H22N2O2 — CID 107220195

IUPAC(3-hydroxy-3-propan-2-ylazetidin-1-yl)-piperidin-2-ylmethanone
SMILESCC(C)C1(O)CN(C(=O)C2CCCCN2)C1
InChIInChI=1S/C12H22N2O2/c1-9(2)12(16)7-14(8-12)11(15)10-5-3-4-6-13-10/h9-10,13,16H,3-8H2,1-2H3
InChIKeyQDBAKPTWZLFJKK-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds2

About (3-hydroxy-3-propan-2-ylazetidin-1-yl)-piperidin-2-ylmethanone

(3-hydroxy-3-propan-2-ylazetidin-1-yl)-piperidin-2-ylmethanone (PubChem CID 107220195) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3-hydroxy-3-propan-2-ylazetidin-1-yl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(3-hydroxy-3-propan-2-ylazetidin-1-yl)-piperidin-2-ylmethanone
PubChem CID107220195
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(3-hydroxy-3-propan-2-ylazetidin-1-yl)-piperidin-2-ylmethanone
SMILESCC(C)C1(O)CN(C(=O)C2CCCCN2)C1
InChIInChI=1S/C12H22N2O2/c1-9(2)12(16)7-14(8-12)11(15)10-5-3-4-6-13-10/h9-10,13,16H,3-8H2,1-2H3
InChIKeyQDBAKPTWZLFJKK-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-propan-2-ylazetidin-1-yl)-piperidin-2-ylmethanone?
The IUPAC name of (3-hydroxy-3-propan-2-ylazetidin-1-yl)-piperidin-2-ylmethanone (CID 107220195) is (3-hydroxy-3-propan-2-ylazetidin-1-yl)-piperidin-2-ylmethanone.
What is the SMILES notation for (3-hydroxy-3-propan-2-ylazetidin-1-yl)-piperidin-2-ylmethanone?
The canonical SMILES for (3-hydroxy-3-propan-2-ylazetidin-1-yl)-piperidin-2-ylmethanone is CC(C)C1(O)CN(C(=O)C2CCCCN2)C1.
What is the InChIKey of (3-hydroxy-3-propan-2-ylazetidin-1-yl)-piperidin-2-ylmethanone?
The InChIKey is QDBAKPTWZLFJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)12(16)7-14(8-12)11(15)10-5-3-4-6-13-10/h9-10,13,16H,3-8H2,1-2H3.
What are the key properties of (3-hydroxy-3-propan-2-ylazetidin-1-yl)-piperidin-2-ylmethanone?
(3-hydroxy-3-propan-2-ylazetidin-1-yl)-piperidin-2-ylmethanone has a molecular weight of 226.32 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-propan-2-ylazetidin-1-yl)-piperidin-2-ylmethanone is sourced from PubChem (CID 107220195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).