4-methoxy-2-(2-piperidin-1-ylpropylamino)benzoic acid

C16H24N2O3 — CID 81300803

IUPAC4-methoxy-2-(2-piperidin-1-ylpropylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)c(NCC(C)N2CCCCC2)c1
InChIInChI=1S/C16H24N2O3/c1-12(18-8-4-3-5-9-18)11-17-15-10-13(21-2)6-7-14(15)16(19)20/h6-7,10,12,17H,3-5,8-9,11H2,1-2H3,(H,19,20)
InChIKeyHLIBUHHFULYLPV-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.68
Rot. Bonds6

About 4-methoxy-2-(2-piperidin-1-ylpropylamino)benzoic acid

4-methoxy-2-(2-piperidin-1-ylpropylamino)benzoic acid (PubChem CID 81300803) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-methoxy-2-(2-piperidin-1-ylpropylamino)benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-(2-piperidin-1-ylpropylamino)benzoic acid
PubChem CID81300803
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-methoxy-2-(2-piperidin-1-ylpropylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)c(NCC(C)N2CCCCC2)c1
InChIInChI=1S/C16H24N2O3/c1-12(18-8-4-3-5-9-18)11-17-15-10-13(21-2)6-7-14(15)16(19)20/h6-7,10,12,17H,3-5,8-9,11H2,1-2H3,(H,19,20)
InChIKeyHLIBUHHFULYLPV-UHFFFAOYSA-N
XLogP2.68
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid
CID 62710645
4-methoxy-2-(2-piperidin-1-ylpropylamino)benzonitrile
CID 81299428
2-[(2-hydroxy-3-methoxypropyl)amino]-4-methoxybenzoic acid
CID 81309534
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-4-methoxybenzoic acid
CID 103968378
4-methoxy-2-(3-methylpentan-2-ylamino)benzoic acid
CID 81304860
2-bromo-3-fluoro-4-(2-pyrrolidin-1-ylpropylamino)benzoic acid
CID 107540424
4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid
CID 113304995
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4-methoxybenzoic acid
CID 114009470
4-methoxy-2-(4-methylhexan-2-ylamino)benzoic acid
CID 81309245
4-methoxy-2-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 81303992
4-methoxy-2-(phenacylamino)benzoic acid
CID 595749

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-piperidin-1-ylpropylamino)benzoic acid?
The IUPAC name of 4-methoxy-2-(2-piperidin-1-ylpropylamino)benzoic acid (CID 81300803) is 4-methoxy-2-(2-piperidin-1-ylpropylamino)benzoic acid.
What is the SMILES notation for 4-methoxy-2-(2-piperidin-1-ylpropylamino)benzoic acid?
The canonical SMILES for 4-methoxy-2-(2-piperidin-1-ylpropylamino)benzoic acid is COc1ccc(C(=O)O)c(NCC(C)N2CCCCC2)c1.
What is the InChIKey of 4-methoxy-2-(2-piperidin-1-ylpropylamino)benzoic acid?
The InChIKey is HLIBUHHFULYLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(18-8-4-3-5-9-18)11-17-15-10-13(21-2)6-7-14(15)16(19)20/h6-7,10,12,17H,3-5,8-9,11H2,1-2H3,(H,19,20).
What are the key properties of 4-methoxy-2-(2-piperidin-1-ylpropylamino)benzoic acid?
4-methoxy-2-(2-piperidin-1-ylpropylamino)benzoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-piperidin-1-ylpropylamino)benzoic acid is sourced from PubChem (CID 81300803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).