1-(2-cyano-4-ethylphenyl)piperidine-4-carboxylic acid

C15H18N2O2 — CID 134499367

IUPAC1-(2-cyano-4-ethylphenyl)piperidine-4-carboxylic acid
SMILESCCc1ccc(N2CCC(C(=O)O)CC2)c(C#N)c1
InChIInChI=1S/C15H18N2O2/c1-2-11-3-4-14(13(9-11)10-16)17-7-5-12(6-8-17)15(18)19/h3-4,9,12H,2,5-8H2,1H3,(H,18,19)
InChIKeyVITMSZZLDHEERK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.42
Rot. Bonds3

About 1-(2-cyano-4-ethylphenyl)piperidine-4-carboxylic acid

1-(2-cyano-4-ethylphenyl)piperidine-4-carboxylic acid (PubChem CID 134499367) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2-cyano-4-ethylphenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyano-4-ethylphenyl)piperidine-4-carboxylic acid
PubChem CID134499367
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(2-cyano-4-ethylphenyl)piperidine-4-carboxylic acid
SMILESCCc1ccc(N2CCC(C(=O)O)CC2)c(C#N)c1
InChIInChI=1S/C15H18N2O2/c1-2-11-3-4-14(13(9-11)10-16)17-7-5-12(6-8-17)15(18)19/h3-4,9,12H,2,5-8H2,1H3,(H,18,19)
InChIKeyVITMSZZLDHEERK-UHFFFAOYSA-N
XLogP2.42
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(dimethylamino)piperidin-1-yl]-5-ethylbenzonitrile
CID 139410160
1-(2-cyano-4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 107926648
ethyl 1-(2-cyano-4-methylphenyl)piperidine-4-carboxylate
CID 107926994
1-(4-cyano-2-methylphenyl)piperidine-4-carboxylic acid
CID 55025142
ethyl 1-(4-amino-2-cyanophenyl)piperidine-4-carboxylate
CID 22227900
5-(bromomethyl)-2-[4-(dimethylamino)piperidin-1-yl]benzonitrile
CID 114063537
1-[(3-cyano-4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 107882866
1-(3-bromo-4-cyano-2-fluorophenyl)piperidine-4-carboxylic acid
CID 107532773
1-(3-cyano-5-ethoxycarbonyl-6-methyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 68918085
1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
CID 61296551
methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate
CID 63673144
1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide
CID 133373440

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-4-ethylphenyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-cyano-4-ethylphenyl)piperidine-4-carboxylic acid (CID 134499367) is 1-(2-cyano-4-ethylphenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-cyano-4-ethylphenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-cyano-4-ethylphenyl)piperidine-4-carboxylic acid is CCc1ccc(N2CCC(C(=O)O)CC2)c(C#N)c1.
What is the InChIKey of 1-(2-cyano-4-ethylphenyl)piperidine-4-carboxylic acid?
The InChIKey is VITMSZZLDHEERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-11-3-4-14(13(9-11)10-16)17-7-5-12(6-8-17)15(18)19/h3-4,9,12H,2,5-8H2,1H3,(H,18,19).
What are the key properties of 1-(2-cyano-4-ethylphenyl)piperidine-4-carboxylic acid?
1-(2-cyano-4-ethylphenyl)piperidine-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-4-ethylphenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 134499367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).