4-(3-ethyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile

C13H22N2O2 — CID 114510704

IUPAC4-(3-ethyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile
SMILESCCC1CNCCC1(O)C1(C#N)CCOCC1
InChIInChI=1S/C13H22N2O2/c1-2-11-9-15-6-3-13(11,16)12(10-14)4-7-17-8-5-12/h11,15-16H,2-9H2,1H3
InChIKeySDUWEEJINHXLQZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.06
Rot. Bonds2

About 4-(3-ethyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile

4-(3-ethyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile (PubChem CID 114510704) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(3-ethyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile.

Molecular Properties

Compound Name4-(3-ethyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile
PubChem CID114510704
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-(3-ethyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile
SMILESCCC1CNCCC1(O)C1(C#N)CCOCC1
InChIInChI=1S/C13H22N2O2/c1-2-11-9-15-6-3-13(11,16)12(10-14)4-7-17-8-5-12/h11,15-16H,2-9H2,1H3
InChIKeySDUWEEJINHXLQZ-UHFFFAOYSA-N
XLogP1.06
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile?
The IUPAC name of 4-(3-ethyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile (CID 114510704) is 4-(3-ethyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile.
What is the SMILES notation for 4-(3-ethyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile?
The canonical SMILES for 4-(3-ethyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile is CCC1CNCCC1(O)C1(C#N)CCOCC1.
What is the InChIKey of 4-(3-ethyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile?
The InChIKey is SDUWEEJINHXLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-11-9-15-6-3-13(11,16)12(10-14)4-7-17-8-5-12/h11,15-16H,2-9H2,1H3.
What are the key properties of 4-(3-ethyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile?
4-(3-ethyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile has a molecular weight of 238.33 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile is sourced from PubChem (CID 114510704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).