(3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone

C14H26N2O2 — CID 107219522

IUPAC(3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)N2CC(O)(CC)C2)CCNCC1
InChIInChI=1S/C14H26N2O2/c1-3-5-13(6-8-15-9-7-13)12(17)16-10-14(18,4-2)11-16/h15,18H,3-11H2,1-2H3
InChIKeyIFYZFBJLDLHRAU-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.14
Rot. Bonds4

About (3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone

(3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone (PubChem CID 107219522) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone
PubChem CID107219522
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)N2CC(O)(CC)C2)CCNCC1
InChIInChI=1S/C14H26N2O2/c1-3-5-13(6-8-15-9-7-13)12(17)16-10-14(18,4-2)11-16/h15,18H,3-11H2,1-2H3
InChIKeyIFYZFBJLDLHRAU-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone?
The IUPAC name of (3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone (CID 107219522) is (3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone.
What is the SMILES notation for (3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone?
The canonical SMILES for (3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone is CCCC1(C(=O)N2CC(O)(CC)C2)CCNCC1.
What is the InChIKey of (3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone?
The InChIKey is IFYZFBJLDLHRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-5-13(6-8-15-9-7-13)12(17)16-10-14(18,4-2)11-16/h15,18H,3-11H2,1-2H3.
What are the key properties of (3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone?
(3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone is sourced from PubChem (CID 107219522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).