4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid

C15H22N2O2 — CID 113400006

IUPAC4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid
SMILESCCN(c1ccc(C(=O)O)c(C)c1)C1CCNCC1
InChIInChI=1S/C15H22N2O2/c1-3-17(12-6-8-16-9-7-12)13-4-5-14(15(18)19)11(2)10-13/h4-5,10,12,16H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyXYDHLJYHVXDZIQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.27
Rot. Bonds4

About 4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid

4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid (PubChem CID 113400006) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid
PubChem CID113400006
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid
SMILESCCN(c1ccc(C(=O)O)c(C)c1)C1CCNCC1
InChIInChI=1S/C15H22N2O2/c1-3-17(12-6-8-16-9-7-12)13-4-5-14(15(18)19)11(2)10-13/h4-5,10,12,16H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyXYDHLJYHVXDZIQ-UHFFFAOYSA-N
XLogP2.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

p-Acetamidobenzoic acid
CID 19266
4-(Dimethylamino)benzoic acid
CID 12092
4-(Hexadecylamino)benzoic acid
CID 47263
4-(Methylamino)benzoic acid
CID 66345
Benzoic acid, 4-(diethylamino)-
CID 79480
Deanol Acetamidobenzoate
CID 19265
4-(Benzylamino)benzoic acid
CID 853546
4-(Piperidin-1-yl)benzoic acid
CID 764599
4-(4-Methylpiperazin-1-yl)benzoic acid
CID 736532
3-Amino-4-(piperidin-1-yl)benzoic acid
CID 808767
1,2,3,4-Tetrahydro-1-methyl-3-oxo-6-quinoxalinecarboxylic acid
CID 4054533
4-(Butylamino)benzoic acid
CID 95946

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid?
The IUPAC name of 4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid (CID 113400006) is 4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid is CCN(c1ccc(C(=O)O)c(C)c1)C1CCNCC1.
What is the InChIKey of 4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid?
The InChIKey is XYDHLJYHVXDZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-17(12-6-8-16-9-7-12)13-4-5-14(15(18)19)11(2)10-13/h4-5,10,12,16H,3,6-9H2,1-2H3,(H,18,19).
What are the key properties of 4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid?
4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid has a molecular weight of 262.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 113400006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).