2-(4,4-diethylpiperidin-1-yl)benzoic acid

C16H23NO2 — CID 63513477

IUPAC2-(4,4-diethylpiperidin-1-yl)benzoic acid
SMILESCCC1(CC)CCN(c2ccccc2C(=O)O)CC1
InChIInChI=1S/C16H23NO2/c1-3-16(4-2)9-11-17(12-10-16)14-8-6-5-7-13(14)15(18)19/h5-8H,3-4,9-12H2,1-2H3,(H,18,19)
InChIKeyXBQXKDDKYSGJRW-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.79
Rot. Bonds4

About 2-(4,4-diethylpiperidin-1-yl)benzoic acid

2-(4,4-diethylpiperidin-1-yl)benzoic acid (PubChem CID 63513477) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-(4,4-diethylpiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(4,4-diethylpiperidin-1-yl)benzoic acid
PubChem CID63513477
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-(4,4-diethylpiperidin-1-yl)benzoic acid
SMILESCCC1(CC)CCN(c2ccccc2C(=O)O)CC1
InChIInChI=1S/C16H23NO2/c1-3-16(4-2)9-11-17(12-10-16)14-8-6-5-7-13(14)15(18)19/h5-8H,3-4,9-12H2,1-2H3,(H,18,19)
InChIKeyXBQXKDDKYSGJRW-UHFFFAOYSA-N
XLogP3.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol
CID 55166791
3-chloro-2-(3,3-diethylpyrrolidin-1-yl)benzoic acid
CID 114067341
2-(4-cyclopropylpiperazin-1-yl)benzoic acid
CID 28802166
2-[4-(2,2-dimethylpropyl)piperazin-1-yl]benzoic acid
CID 28802287
1-(2-carboxyphenyl)piperidine-4-carboxylic acid
CID 82537864
2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid
CID 25360108
methyl 2-(azetidin-1-yl)benzoate
CID 131095388
1-(2-piperidin-1-ylphenyl)butan-1-one
CID 10489705
2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid
CID 63971544
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine
CID 63794357
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 63158539
2-(4-phenylpiperidin-1-yl)benzoic acid
CID 125468631

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethylpiperidin-1-yl)benzoic acid?
The IUPAC name of 2-(4,4-diethylpiperidin-1-yl)benzoic acid (CID 63513477) is 2-(4,4-diethylpiperidin-1-yl)benzoic acid.
What is the SMILES notation for 2-(4,4-diethylpiperidin-1-yl)benzoic acid?
The canonical SMILES for 2-(4,4-diethylpiperidin-1-yl)benzoic acid is CCC1(CC)CCN(c2ccccc2C(=O)O)CC1.
What is the InChIKey of 2-(4,4-diethylpiperidin-1-yl)benzoic acid?
The InChIKey is XBQXKDDKYSGJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-16(4-2)9-11-17(12-10-16)14-8-6-5-7-13(14)15(18)19/h5-8H,3-4,9-12H2,1-2H3,(H,18,19).
What are the key properties of 2-(4,4-diethylpiperidin-1-yl)benzoic acid?
2-(4,4-diethylpiperidin-1-yl)benzoic acid has a molecular weight of 261.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylpiperidin-1-yl)benzoic acid is sourced from PubChem (CID 63513477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).