2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid

C14H16N2O3 — CID 68790675

IUPAC2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid
SMILESN#Cc1ccc(COC2CCCCN2C(=O)O)cc1
InChIInChI=1S/C14H16N2O3/c15-9-11-4-6-12(7-5-11)10-19-13-3-1-2-8-16(13)14(17)18/h4-7,13H,1-3,8,10H2,(H,17,18)
InChIKeyJKJQPZWOZJYXRH-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.56
Rot. Bonds3

About 2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid

2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid (PubChem CID 68790675) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid
PubChem CID68790675
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid
SMILESN#Cc1ccc(COC2CCCCN2C(=O)O)cc1
InChIInChI=1S/C14H16N2O3/c15-9-11-4-6-12(7-5-11)10-19-13-3-1-2-8-16(13)14(17)18/h4-7,13H,1-3,8,10H2,(H,17,18)
InChIKeyJKJQPZWOZJYXRH-UHFFFAOYSA-N
XLogP2.56
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methoxy]piperidine-1-carboxylic acid
CID 91418373
2-(pyridin-3-ylmethoxy)piperidine-1-carboxylic acid
CID 159765233
3-[(4-cyanophenyl)methoxy]cyclobutane-1-carboxylic acid
CID 58557319
ethyl 2-phenylmethoxyazepane-1-carboxylate
CID 141418493
(4-cyanophenyl)methyl 2-cyclopentylacetate
CID 2405362
2-O-benzyl 1-O-[2-(4-cyanophenyl)ethyl] pyrrolidine-1,2-dicarboxylate
CID 6733946
4-[2-[2-(oxan-4-yl)piperidin-1-yl]-2-oxoethyl]benzonitrile
CID 166288201
4-(cyclopentylmethoxymethyl)benzonitrile
CID 66323484
(2S)-1-[(4-cyanophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 57257451
1-[(4-cyanophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
CID 71432530
(2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid
CID 68786469
benzyl (2S)-2-cyanopiperidine-1-carboxylate
CID 27281979

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid?
The IUPAC name of 2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid (CID 68790675) is 2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid?
The canonical SMILES for 2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid is N#Cc1ccc(COC2CCCCN2C(=O)O)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid?
The InChIKey is JKJQPZWOZJYXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-9-11-4-6-12(7-5-11)10-19-13-3-1-2-8-16(13)14(17)18/h4-7,13H,1-3,8,10H2,(H,17,18).
What are the key properties of 2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid?
2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 68790675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).