3-(4-hydroxy-1-propylpiperidin-4-yl)oxolane-3-carbonitrile

C13H22N2O2 — CID 79131371

IUPAC3-(4-hydroxy-1-propylpiperidin-4-yl)oxolane-3-carbonitrile
SMILESCCCN1CCC(O)(C2(C#N)CCOC2)CC1
InChIInChI=1S/C13H22N2O2/c1-2-6-15-7-3-13(16,4-8-15)12(10-14)5-9-17-11-12/h16H,2-9,11H2,1H3
InChIKeyXVMGYVUAJQUPTO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.15
Rot. Bonds3

About 3-(4-hydroxy-1-propylpiperidin-4-yl)oxolane-3-carbonitrile

3-(4-hydroxy-1-propylpiperidin-4-yl)oxolane-3-carbonitrile (PubChem CID 79131371) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(4-hydroxy-1-propylpiperidin-4-yl)oxolane-3-carbonitrile.

Molecular Properties

Compound Name3-(4-hydroxy-1-propylpiperidin-4-yl)oxolane-3-carbonitrile
PubChem CID79131371
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-(4-hydroxy-1-propylpiperidin-4-yl)oxolane-3-carbonitrile
SMILESCCCN1CCC(O)(C2(C#N)CCOC2)CC1
InChIInChI=1S/C13H22N2O2/c1-2-6-15-7-3-13(16,4-8-15)12(10-14)5-9-17-11-12/h16H,2-9,11H2,1H3
InChIKeyXVMGYVUAJQUPTO-UHFFFAOYSA-N
XLogP1.15
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxy-1-propylazepan-4-yl)oxane-3-carbonitrile
CID 103715854
3-(1-ethyl-4-hydroxyazepan-4-yl)oxane-3-carbonitrile
CID 103715853
3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile
CID 79118405
4-hydroxy-1-propylpiperidine-4-carbonitrile
CID 43436625
4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile
CID 79123843
3-(1-hydroxy-4-propan-2-ylcyclohexyl)oxolane-3-carbonitrile
CID 79129513
3-(3-hydroxyoxan-3-yl)oxolane-3-carbonitrile
CID 79131505
3-(4-hydroxyoxepan-4-yl)oxane-3-carbonitrile
CID 103715856
4-(3-hydroxyoxolan-3-yl)oxane-4-carbonitrile
CID 79130852
2-(4-hydroxy-1-propylpiperidin-4-yl)acetonitrile
CID 79116476
4-(1-tert-butyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile
CID 137371331
4-ethynyl-1-propylpiperidin-4-ol
CID 64915760

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-1-propylpiperidin-4-yl)oxolane-3-carbonitrile?
The IUPAC name of 3-(4-hydroxy-1-propylpiperidin-4-yl)oxolane-3-carbonitrile (CID 79131371) is 3-(4-hydroxy-1-propylpiperidin-4-yl)oxolane-3-carbonitrile.
What is the SMILES notation for 3-(4-hydroxy-1-propylpiperidin-4-yl)oxolane-3-carbonitrile?
The canonical SMILES for 3-(4-hydroxy-1-propylpiperidin-4-yl)oxolane-3-carbonitrile is CCCN1CCC(O)(C2(C#N)CCOC2)CC1.
What is the InChIKey of 3-(4-hydroxy-1-propylpiperidin-4-yl)oxolane-3-carbonitrile?
The InChIKey is XVMGYVUAJQUPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-6-15-7-3-13(16,4-8-15)12(10-14)5-9-17-11-12/h16H,2-9,11H2,1H3.
What are the key properties of 3-(4-hydroxy-1-propylpiperidin-4-yl)oxolane-3-carbonitrile?
3-(4-hydroxy-1-propylpiperidin-4-yl)oxolane-3-carbonitrile has a molecular weight of 238.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-1-propylpiperidin-4-yl)oxolane-3-carbonitrile is sourced from PubChem (CID 79131371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).