1-[3-(oxolan-2-yl)propyl]piperidine-2-carbonitrile

C13H22N2O — CID 65161314

IUPAC1-[3-(oxolan-2-yl)propyl]piperidine-2-carbonitrile
SMILESN#CC1CCCCN1CCCC1CCCO1
InChIInChI=1S/C13H22N2O/c14-11-12-5-1-2-8-15(12)9-3-6-13-7-4-10-16-13/h12-13H,1-10H2
InChIKeyIYNPUUSKCVAPKP-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.32
Rot. Bonds4

About 1-[3-(oxolan-2-yl)propyl]piperidine-2-carbonitrile

1-[3-(oxolan-2-yl)propyl]piperidine-2-carbonitrile (PubChem CID 65161314) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[3-(oxolan-2-yl)propyl]piperidine-2-carbonitrile.

Molecular Properties

Compound Name1-[3-(oxolan-2-yl)propyl]piperidine-2-carbonitrile
PubChem CID65161314
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[3-(oxolan-2-yl)propyl]piperidine-2-carbonitrile
SMILESN#CC1CCCCN1CCCC1CCCO1
InChIInChI=1S/C13H22N2O/c14-11-12-5-1-2-8-15(12)9-3-6-13-7-4-10-16-13/h12-13H,1-10H2
InChIKeyIYNPUUSKCVAPKP-UHFFFAOYSA-N
XLogP2.32
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[3-(oxolan-2-yl)propyl]piperidin-2-yl]ethanamine
CID 65159449
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methanamine
CID 65160928
2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79549060
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
3-[(2S)-oxolan-2-yl]propanenitrile
CID 129367969
2-(3-bromopropyl)oxolane
CID 15783712
1-[3-(oxolan-2-yl)propyl]piperidin-4-amine
CID 65159918
1-(4,4,4-trifluorobutyl)pyrrolidine-2-carbonitrile
CID 115513921
2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine
CID 102785673
N-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 65161350
(3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol
CID 79410973
[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]methanamine
CID 65158902

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-yl)propyl]piperidine-2-carbonitrile?
The IUPAC name of 1-[3-(oxolan-2-yl)propyl]piperidine-2-carbonitrile (CID 65161314) is 1-[3-(oxolan-2-yl)propyl]piperidine-2-carbonitrile.
What is the SMILES notation for 1-[3-(oxolan-2-yl)propyl]piperidine-2-carbonitrile?
The canonical SMILES for 1-[3-(oxolan-2-yl)propyl]piperidine-2-carbonitrile is N#CC1CCCCN1CCCC1CCCO1.
What is the InChIKey of 1-[3-(oxolan-2-yl)propyl]piperidine-2-carbonitrile?
The InChIKey is IYNPUUSKCVAPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c14-11-12-5-1-2-8-15(12)9-3-6-13-7-4-10-16-13/h12-13H,1-10H2.
What are the key properties of 1-[3-(oxolan-2-yl)propyl]piperidine-2-carbonitrile?
1-[3-(oxolan-2-yl)propyl]piperidine-2-carbonitrile has a molecular weight of 222.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-yl)propyl]piperidine-2-carbonitrile is sourced from PubChem (CID 65161314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).