3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile

C13H22N2O2 — CID 96926614

IUPAC3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile
SMILESN#CCCN1CCC(OC[C@@H]2CCCO2)CC1
InChIInChI=1S/C13H22N2O2/c14-6-2-7-15-8-4-12(5-9-15)17-11-13-3-1-10-16-13/h12-13H,1-5,7-11H2/t13-/m0/s1
InChIKeyLKMYSTFFRPCULK-ZDUSSCGKSA-N
MW238.33 g/mol
LogP1.56
Rot. Bonds5

About 3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile

3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile (PubChem CID 96926614) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile
PubChem CID96926614
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile
SMILESN#CCCN1CCC(OC[C@@H]2CCCO2)CC1
InChIInChI=1S/C13H22N2O2/c14-6-2-7-15-8-4-12(5-9-15)17-11-13-3-1-10-16-13/h12-13H,1-5,7-11H2/t13-/m0/s1
InChIKeyLKMYSTFFRPCULK-ZDUSSCGKSA-N
XLogP1.56
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
CID 96979784
3-[4-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperazin-1-yl]propanenitrile
CID 54856534
[1-(2-cyanoethyl)piperidin-4-yl] hypoiodite
CID 138600618
6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile
CID 133419117
3-[(2S)-oxolan-2-yl]propanenitrile
CID 129367969
4-(oxolan-2-ylmethoxy)cyclohexan-1-amine
CID 62806705
4-(oxolan-2-ylmethoxy)piperidine;hydrochloride
CID 45074945
1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol
CID 111916541
3-(oxolan-2-ylmethoxy)oxane
CID 71311379
1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
CID 97157966
4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 4118030
1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
CID 124619404

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile (CID 96926614) is 3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile is N#CCCN1CCC(OC[C@@H]2CCCO2)CC1.
What is the InChIKey of 3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile?
The InChIKey is LKMYSTFFRPCULK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22N2O2/c14-6-2-7-15-8-4-12(5-9-15)17-11-13-3-1-10-16-13/h12-13H,1-5,7-11H2/t13-/m0/s1.
What are the key properties of 3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile?
3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile has a molecular weight of 238.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile is sourced from PubChem (CID 96926614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).