2-[4-(dimethylamino)-1-hydroxy-4-pyridin-2-ylcyclohexyl]acetic acid

C15H22N2O3 — CID 67386014

IUPAC2-[4-(dimethylamino)-1-hydroxy-4-pyridin-2-ylcyclohexyl]acetic acid
SMILESCN(C)C1(c2ccccn2)CCC(O)(CC(=O)O)CC1
InChIInChI=1S/C15H22N2O3/c1-17(2)15(12-5-3-4-10-16-12)8-6-14(20,7-9-15)11-13(18)19/h3-5,10,20H,6-9,11H2,1-2H3,(H,18,19)
InChIKeyKQWQDBMUWDZLGV-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.62
Rot. Bonds4

About 2-[4-(dimethylamino)-1-hydroxy-4-pyridin-2-ylcyclohexyl]acetic acid

2-[4-(dimethylamino)-1-hydroxy-4-pyridin-2-ylcyclohexyl]acetic acid (PubChem CID 67386014) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-1-hydroxy-4-pyridin-2-ylcyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)-1-hydroxy-4-pyridin-2-ylcyclohexyl]acetic acid
PubChem CID67386014
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[4-(dimethylamino)-1-hydroxy-4-pyridin-2-ylcyclohexyl]acetic acid
SMILESCN(C)C1(c2ccccn2)CCC(O)(CC(=O)O)CC1
InChIInChI=1S/C15H22N2O3/c1-17(2)15(12-5-3-4-10-16-12)8-6-14(20,7-9-15)11-13(18)19/h3-5,10,20H,6-9,11H2,1-2H3,(H,18,19)
InChIKeyKQWQDBMUWDZLGV-UHFFFAOYSA-N
XLogP1.62
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]acetic acid
CID 67386533
4-[(6S)-6-(dimethylamino)-2-oxo-6-pyridin-2-ylazonan-1-yl]butanoic acid
CID 134570485
2-[1-(pyridin-2-ylmethyl)cyclopropyl]acetic acid
CID 82403496
2-[(dimethylamino)methyl]-1-pyridin-2-ylcyclohexan-1-ol
CID 5101432
2-(3-pyridin-2-yloxan-3-yl)acetic acid
CID 83822542
methyl 3-[8-(dimethylamino)-3-oxo-8-pyridin-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylpropanoate
CID 118666317
1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 56604209
1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea
CID 110478720
1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride
CID 118711155
1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 89459236
2-[methyl(pyridin-2-yl)amino]acetic acid;hydrochloride
CID 71627035
2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexylidene]-N-[2-(1H-indol-3-yl)ethyl]acetamide;hydrochloride
CID 11604570

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-1-hydroxy-4-pyridin-2-ylcyclohexyl]acetic acid?
The IUPAC name of 2-[4-(dimethylamino)-1-hydroxy-4-pyridin-2-ylcyclohexyl]acetic acid (CID 67386014) is 2-[4-(dimethylamino)-1-hydroxy-4-pyridin-2-ylcyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-(dimethylamino)-1-hydroxy-4-pyridin-2-ylcyclohexyl]acetic acid?
The canonical SMILES for 2-[4-(dimethylamino)-1-hydroxy-4-pyridin-2-ylcyclohexyl]acetic acid is CN(C)C1(c2ccccn2)CCC(O)(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(dimethylamino)-1-hydroxy-4-pyridin-2-ylcyclohexyl]acetic acid?
The InChIKey is KQWQDBMUWDZLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17(2)15(12-5-3-4-10-16-12)8-6-14(20,7-9-15)11-13(18)19/h3-5,10,20H,6-9,11H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(dimethylamino)-1-hydroxy-4-pyridin-2-ylcyclohexyl]acetic acid?
2-[4-(dimethylamino)-1-hydroxy-4-pyridin-2-ylcyclohexyl]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-1-hydroxy-4-pyridin-2-ylcyclohexyl]acetic acid is sourced from PubChem (CID 67386014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).