(3-hydroxy-4-methylpiperidin-1-yl)-(2-propyloxan-4-yl)methanone

C15H27NO3 — CID 110021974

IUPAC(3-hydroxy-4-methylpiperidin-1-yl)-(2-propyloxan-4-yl)methanone
SMILESCCCC1CC(C(=O)N2CCC(C)C(O)C2)CCO1
InChIInChI=1S/C15H27NO3/c1-3-4-13-9-12(6-8-19-13)15(18)16-7-5-11(2)14(17)10-16/h11-14,17H,3-10H2,1-2H3
InChIKeyMMGFZFMRJVDNLG-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.81
Rot. Bonds3

About (3-hydroxy-4-methylpiperidin-1-yl)-(2-propyloxan-4-yl)methanone

(3-hydroxy-4-methylpiperidin-1-yl)-(2-propyloxan-4-yl)methanone (PubChem CID 110021974) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (3-hydroxy-4-methylpiperidin-1-yl)-(2-propyloxan-4-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-4-methylpiperidin-1-yl)-(2-propyloxan-4-yl)methanone
PubChem CID110021974
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(3-hydroxy-4-methylpiperidin-1-yl)-(2-propyloxan-4-yl)methanone
SMILESCCCC1CC(C(=O)N2CCC(C)C(O)C2)CCO1
InChIInChI=1S/C15H27NO3/c1-3-4-13-9-12(6-8-19-13)15(18)16-7-5-11(2)14(17)10-16/h11-14,17H,3-10H2,1-2H3
InChIKeyMMGFZFMRJVDNLG-UHFFFAOYSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-hydroxy-4-methylpiperidin-1-yl)-(2-propyloxan-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methylpiperidin-1-yl)-(2-propyloxan-4-yl)methanone?
The IUPAC name of (3-hydroxy-4-methylpiperidin-1-yl)-(2-propyloxan-4-yl)methanone (CID 110021974) is (3-hydroxy-4-methylpiperidin-1-yl)-(2-propyloxan-4-yl)methanone.
What is the SMILES notation for (3-hydroxy-4-methylpiperidin-1-yl)-(2-propyloxan-4-yl)methanone?
The canonical SMILES for (3-hydroxy-4-methylpiperidin-1-yl)-(2-propyloxan-4-yl)methanone is CCCC1CC(C(=O)N2CCC(C)C(O)C2)CCO1.
What is the InChIKey of (3-hydroxy-4-methylpiperidin-1-yl)-(2-propyloxan-4-yl)methanone?
The InChIKey is MMGFZFMRJVDNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-4-13-9-12(6-8-19-13)15(18)16-7-5-11(2)14(17)10-16/h11-14,17H,3-10H2,1-2H3.
What are the key properties of (3-hydroxy-4-methylpiperidin-1-yl)-(2-propyloxan-4-yl)methanone?
(3-hydroxy-4-methylpiperidin-1-yl)-(2-propyloxan-4-yl)methanone has a molecular weight of 269.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methylpiperidin-1-yl)-(2-propyloxan-4-yl)methanone is sourced from PubChem (CID 110021974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).