4-(2-chloroanilino)-3-ethylpiperidine-4-carboxylic acid

C14H19ClN2O2 — CID 114509081

IUPAC4-(2-chloroanilino)-3-ethylpiperidine-4-carboxylic acid
SMILESCCC1CNCCC1(Nc1ccccc1Cl)C(=O)O
InChIInChI=1S/C14H19ClN2O2/c1-2-10-9-16-8-7-14(10,13(18)19)17-12-6-4-3-5-11(12)15/h3-6,10,16-17H,2,7-9H2,1H3,(H,18,19)
InChIKeySGWNPPODZUKEKJ-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.59
Rot. Bonds4

About 4-(2-chloroanilino)-3-ethylpiperidine-4-carboxylic acid

4-(2-chloroanilino)-3-ethylpiperidine-4-carboxylic acid (PubChem CID 114509081) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-(2-chloroanilino)-3-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-chloroanilino)-3-ethylpiperidine-4-carboxylic acid
PubChem CID114509081
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name4-(2-chloroanilino)-3-ethylpiperidine-4-carboxylic acid
SMILESCCC1CNCCC1(Nc1ccccc1Cl)C(=O)O
InChIInChI=1S/C14H19ClN2O2/c1-2-10-9-16-8-7-14(10,13(18)19)17-12-6-4-3-5-11(12)15/h3-6,10,16-17H,2,7-9H2,1H3,(H,18,19)
InChIKeySGWNPPODZUKEKJ-UHFFFAOYSA-N
XLogP2.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid
CID 114509068
2-tert-butyl-1-(2-chloroanilino)cyclohexane-1-carboxylic acid
CID 60991105
ethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate
CID 114509075
3-ethyl-4-(methylamino)piperidine-4-carboxamide
CID 114508060
1-(2-chloroanilino)-2-methylcyclopentane-1-carboxamide
CID 65045384
1-(2-chloroanilino)-3,4-dimethylcyclohexane-1-carboxylic acid
CID 64745463
ethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate
CID 114509111
ethyl 4-(2-bromoanilino)-3-methylpiperidine-4-carboxylate
CID 114500563
methyl 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate
CID 114509064
1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide
CID 54891719
1-(2-chloroanilino)cycloheptane-1-carboxylic acid
CID 60990839
ethyl 1-(2-chloroanilino)-2,5-dimethylcyclohexane-1-carboxylate
CID 64754954

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroanilino)-3-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(2-chloroanilino)-3-ethylpiperidine-4-carboxylic acid (CID 114509081) is 4-(2-chloroanilino)-3-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-chloroanilino)-3-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-chloroanilino)-3-ethylpiperidine-4-carboxylic acid is CCC1CNCCC1(Nc1ccccc1Cl)C(=O)O.
What is the InChIKey of 4-(2-chloroanilino)-3-ethylpiperidine-4-carboxylic acid?
The InChIKey is SGWNPPODZUKEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-10-9-16-8-7-14(10,13(18)19)17-12-6-4-3-5-11(12)15/h3-6,10,16-17H,2,7-9H2,1H3,(H,18,19).
What are the key properties of 4-(2-chloroanilino)-3-ethylpiperidine-4-carboxylic acid?
4-(2-chloroanilino)-3-ethylpiperidine-4-carboxylic acid has a molecular weight of 282.77 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroanilino)-3-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 114509081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).