(3-hydroxypiperidin-1-yl)-(2-propyloxan-4-yl)methanone

C14H25NO3 — CID 110019546

IUPAC(3-hydroxypiperidin-1-yl)-(2-propyloxan-4-yl)methanone
SMILESCCCC1CC(C(=O)N2CCCC(O)C2)CCO1
InChIInChI=1S/C14H25NO3/c1-2-4-13-9-11(6-8-18-13)14(17)15-7-3-5-12(16)10-15/h11-13,16H,2-10H2,1H3
InChIKeyGPYTUAZOVRSVRB-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.57
Rot. Bonds3

About (3-hydroxypiperidin-1-yl)-(2-propyloxan-4-yl)methanone

(3-hydroxypiperidin-1-yl)-(2-propyloxan-4-yl)methanone (PubChem CID 110019546) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-(2-propyloxan-4-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-(2-propyloxan-4-yl)methanone
PubChem CID110019546
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(3-hydroxypiperidin-1-yl)-(2-propyloxan-4-yl)methanone
SMILESCCCC1CC(C(=O)N2CCCC(O)C2)CCO1
InChIInChI=1S/C14H25NO3/c1-2-4-13-9-11(6-8-18-13)14(17)15-7-3-5-12(16)10-15/h11-13,16H,2-10H2,1H3
InChIKeyGPYTUAZOVRSVRB-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-(2-propyloxan-4-yl)methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-(2-propyloxan-4-yl)methanone (CID 110019546) is (3-hydroxypiperidin-1-yl)-(2-propyloxan-4-yl)methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-(2-propyloxan-4-yl)methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-(2-propyloxan-4-yl)methanone is CCCC1CC(C(=O)N2CCCC(O)C2)CCO1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-(2-propyloxan-4-yl)methanone?
The InChIKey is GPYTUAZOVRSVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-4-13-9-11(6-8-18-13)14(17)15-7-3-5-12(16)10-15/h11-13,16H,2-10H2,1H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-(2-propyloxan-4-yl)methanone?
(3-hydroxypiperidin-1-yl)-(2-propyloxan-4-yl)methanone has a molecular weight of 255.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-(2-propyloxan-4-yl)methanone is sourced from PubChem (CID 110019546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).