4-(4,4-dimethylpiperidin-1-yl)benzoic acid

C14H19NO2 — CID 11535980

IUPAC4-(4,4-dimethylpiperidin-1-yl)benzoic acid
SMILESCC1(C)CCN(c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C14H19NO2/c1-14(2)7-9-15(10-8-14)12-5-3-11(4-6-12)13(16)17/h3-6H,7-10H2,1-2H3,(H,16,17)
InChIKeyMNGVOIOJCKRYCZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.01
Rot. Bonds2

About 4-(4,4-dimethylpiperidin-1-yl)benzoic acid

4-(4,4-dimethylpiperidin-1-yl)benzoic acid (PubChem CID 11535980) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(4,4-dimethylpiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(4,4-dimethylpiperidin-1-yl)benzoic acid
PubChem CID11535980
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-(4,4-dimethylpiperidin-1-yl)benzoic acid
SMILESCC1(C)CCN(c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C14H19NO2/c1-14(2)7-9-15(10-8-14)12-5-3-11(4-6-12)13(16)17/h3-6H,7-10H2,1-2H3,(H,16,17)
InChIKeyMNGVOIOJCKRYCZ-UHFFFAOYSA-N
XLogP3.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4,4-dimethylpiperidin-1-yl)benzoic acid;ethane
CID 143852634
4-[4-(4-carboxyphenyl)piperazin-1-yl]benzoic acid
CID 86748187
4-(4-aminopiperidin-1-yl)benzoic acid
CID 18617654
4-(3,4-dihydroxypyrrolidin-1-yl)benzoic acid
CID 106669870
4-(1-oxo-1,4-thiazinan-4-yl)benzoic acid
CID 55150925
4-(2,2-dimethylpyrrolidin-1-yl)benzoic acid
CID 63219460
4-(4-cyclopropyl-1,4-diazepan-1-yl)benzoic acid
CID 69089179
1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone
CID 63158711
chloro-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazene;4-(4,4-dimethylpiperidin-1-yl)benzoic acid;ethyl 4-(4,4-dimethylpiperidin-1-yl)benzoate;hydrochloride
CID 162067943
1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone
CID 63158848
1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone
CID 63158758
4-(4-methyl-1,4-diazepan-1-yl)benzoic acid;hydrate;hydrochloride
CID 18525908

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)benzoic acid?
The IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)benzoic acid (CID 11535980) is 4-(4,4-dimethylpiperidin-1-yl)benzoic acid.
What is the SMILES notation for 4-(4,4-dimethylpiperidin-1-yl)benzoic acid?
The canonical SMILES for 4-(4,4-dimethylpiperidin-1-yl)benzoic acid is CC1(C)CCN(c2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-(4,4-dimethylpiperidin-1-yl)benzoic acid?
The InChIKey is MNGVOIOJCKRYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2)7-9-15(10-8-14)12-5-3-11(4-6-12)13(16)17/h3-6H,7-10H2,1-2H3,(H,16,17).
What are the key properties of 4-(4,4-dimethylpiperidin-1-yl)benzoic acid?
4-(4,4-dimethylpiperidin-1-yl)benzoic acid has a molecular weight of 233.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpiperidin-1-yl)benzoic acid is sourced from PubChem (CID 11535980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).