4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile

C14H18N2O — CID 21309815

IUPAC4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile
SMILESN#Cc1ccc(OCC[C@H]2CCCCN2)cc1
InChIInChI=1S/C14H18N2O/c15-11-12-4-6-14(7-5-12)17-10-8-13-3-1-2-9-16-13/h4-7,13,16H,1-3,8-10H2/t13-/m1/s1
InChIKeyHXFMGRHVEYSXCZ-CYBMUJFWSA-N
MW230.31 g/mol
LogP2.47
Rot. Bonds4

About 4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile

4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile (PubChem CID 21309815) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile
PubChem CID21309815
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile
SMILESN#Cc1ccc(OCC[C@H]2CCCCN2)cc1
InChIInChI=1S/C14H18N2O/c15-11-12-4-6-14(7-5-12)17-10-8-13-3-1-2-9-16-13/h4-7,13,16H,1-3,8-10H2/t13-/m1/s1
InChIKeyHXFMGRHVEYSXCZ-CYBMUJFWSA-N
XLogP2.47
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile
CID 62925745
2-[2-(4-cyclohexyloxyphenoxy)ethyl]piperidine
CID 54293504
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
3-fluoro-4-(2-piperidin-2-ylethoxy)benzonitrile
CID 62349113
(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 69002528
2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 43150630
4-(2-piperidin-2-ylethoxy)-2-(trifluoromethyl)benzonitrile
CID 62348975
4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid
CID 94751423
4-(2-piperidin-2-ylethoxy)benzamide
CID 43150005
2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride
CID 70109158
2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride
CID 56830376

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile?
The IUPAC name of 4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile (CID 21309815) is 4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile?
The canonical SMILES for 4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile is N#Cc1ccc(OCC[C@H]2CCCCN2)cc1.
What is the InChIKey of 4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile?
The InChIKey is HXFMGRHVEYSXCZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18N2O/c15-11-12-4-6-14(7-5-12)17-10-8-13-3-1-2-9-16-13/h4-7,13,16H,1-3,8-10H2/t13-/m1/s1.
What are the key properties of 4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile?
4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile is sourced from PubChem (CID 21309815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).