6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid

C15H22N2O2 — CID 63161227

IUPAC6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCCC1(CC)CCN(c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-15(4-2)7-9-17(10-8-15)13-6-5-12(11-16-13)14(18)19/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeyKTXLMPWBXOUUQI-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.19
Rot. Bonds4

About 6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid

6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 63161227) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID63161227
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCCC1(CC)CCN(c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-15(4-2)7-9-17(10-8-15)13-6-5-12(11-16-13)14(18)19/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeyKTXLMPWBXOUUQI-UHFFFAOYSA-N
XLogP3.19
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboximidamide
CID 63160900
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659
5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine
CID 63464475
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 103356410
6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 83967770
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid
CID 121200824
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285
6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid
CID 72928045

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 63161227) is 6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid is CCC1(CC)CCN(c2ccc(C(=O)O)cn2)CC1.
What is the InChIKey of 6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is KTXLMPWBXOUUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-15(4-2)7-9-17(10-8-15)13-6-5-12(11-16-13)14(18)19/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,19).
What are the key properties of 6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid?
6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63161227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).