4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid

C16H23NO2 — CID 62700990

IUPAC4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid
SMILESCCCC1CCN(c2cc(C)ccc2C(=O)O)CC1
InChIInChI=1S/C16H23NO2/c1-3-4-13-7-9-17(10-8-13)15-11-12(2)5-6-14(15)16(18)19/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeyHYTCGZISUBUQMB-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.71
Rot. Bonds4

About 4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid

4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid (PubChem CID 62700990) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid
PubChem CID62700990
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid
SMILESCCCC1CCN(c2cc(C)ccc2C(=O)O)CC1
InChIInChI=1S/C16H23NO2/c1-3-4-13-7-9-17(10-8-13)15-11-12(2)5-6-14(15)16(18)19/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeyHYTCGZISUBUQMB-UHFFFAOYSA-N
XLogP3.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid?
The IUPAC name of 4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid (CID 62700990) is 4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid.
What is the SMILES notation for 4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid?
The canonical SMILES for 4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid is CCCC1CCN(c2cc(C)ccc2C(=O)O)CC1.
What is the InChIKey of 4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid?
The InChIKey is HYTCGZISUBUQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-4-13-7-9-17(10-8-13)15-11-12(2)5-6-14(15)16(18)19/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid?
4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid has a molecular weight of 261.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid is sourced from PubChem (CID 62700990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).