2-[1-(2-piperidin-2-ylethoxymethyl)cyclopropyl]acetonitrile

C13H22N2O — CID 65497158

IUPAC2-[1-(2-piperidin-2-ylethoxymethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(COCCC2CCCCN2)CC1
InChIInChI=1S/C13H22N2O/c14-8-7-13(5-6-13)11-16-10-4-12-3-1-2-9-15-12/h12,15H,1-7,9-11H2
InChIKeyQTGJJLLHTGDENI-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.23
Rot. Bonds6

About 2-[1-(2-piperidin-2-ylethoxymethyl)cyclopropyl]acetonitrile

2-[1-(2-piperidin-2-ylethoxymethyl)cyclopropyl]acetonitrile (PubChem CID 65497158) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[1-(2-piperidin-2-ylethoxymethyl)cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-piperidin-2-ylethoxymethyl)cyclopropyl]acetonitrile
PubChem CID65497158
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[1-(2-piperidin-2-ylethoxymethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(COCCC2CCCCN2)CC1
InChIInChI=1S/C13H22N2O/c14-8-7-13(5-6-13)11-16-10-4-12-3-1-2-9-15-12/h12,15H,1-7,9-11H2
InChIKeyQTGJJLLHTGDENI-UHFFFAOYSA-N
XLogP2.23
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-pyrrolidin-3-ylethoxymethyl)cyclopropyl]acetonitrile
CID 114796160
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2-[2-(3-methylbutoxy)ethyl]piperidine
CID 43149946
(2R)-2-[2-(3-methylbutoxy)ethyl]piperidine
CID 86313825
2-(2-octadecoxyethyl)piperidine
CID 140997929
2-(2-pentoxyethyl)piperidine;hydrochloride
CID 53408898
2-[2-[(3,3-difluorocyclohexyl)methoxy]ethyl]piperidine
CID 114224266
4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile
CID 21309815
2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine
CID 62341420
2-[2-(1-oxaspiro[4.5]decan-2-ylmethoxy)ethyl]piperidine
CID 102898856
2-[2-[2-(oxolan-2-yl)ethoxy]ethyl]piperidine
CID 65163156
2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol
CID 106937966

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-piperidin-2-ylethoxymethyl)cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-(2-piperidin-2-ylethoxymethyl)cyclopropyl]acetonitrile (CID 65497158) is 2-[1-(2-piperidin-2-ylethoxymethyl)cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-(2-piperidin-2-ylethoxymethyl)cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-(2-piperidin-2-ylethoxymethyl)cyclopropyl]acetonitrile is N#CCC1(COCCC2CCCCN2)CC1.
What is the InChIKey of 2-[1-(2-piperidin-2-ylethoxymethyl)cyclopropyl]acetonitrile?
The InChIKey is QTGJJLLHTGDENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c14-8-7-13(5-6-13)11-16-10-4-12-3-1-2-9-15-12/h12,15H,1-7,9-11H2.
What are the key properties of 2-[1-(2-piperidin-2-ylethoxymethyl)cyclopropyl]acetonitrile?
2-[1-(2-piperidin-2-ylethoxymethyl)cyclopropyl]acetonitrile has a molecular weight of 222.33 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-piperidin-2-ylethoxymethyl)cyclopropyl]acetonitrile is sourced from PubChem (CID 65497158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).