methyl 2-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylate

C13H18N2O3 — CID 114075096

IUPACmethyl 2-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(N2CCCC(C)(O)C2)c1
InChIInChI=1S/C13H18N2O3/c1-13(17)5-3-7-15(9-13)11-8-10(4-6-14-11)12(16)18-2/h4,6,8,17H,3,5,7,9H2,1-2H3
InChIKeyKKGQSBUFTMMFKW-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.22
Rot. Bonds2

About methyl 2-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylate

methyl 2-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylate (PubChem CID 114075096) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 2-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylate
PubChem CID114075096
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 2-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(N2CCCC(C)(O)C2)c1
InChIInChI=1S/C13H18N2O3/c1-13(17)5-3-7-15(9-13)11-8-10(4-6-14-11)12(16)18-2/h4,6,8,17H,3,5,7,9H2,1-2H3
InChIKeyKKGQSBUFTMMFKW-UHFFFAOYSA-N
XLogP1.22
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(1S)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876735
1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876717
methyl 2-(3,4-dimethylpiperazin-1-yl)pyridine-4-carboxylate
CID 114075028
methyl 2-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]pyridine-4-carboxylate
CID 94616340
ethane;methyl 2-[4-(2-chloro-4-hydroxyphenyl)-4-hydroxypiperidin-1-yl]pyridine-4-carboxylate
CID 145100891
methyl 2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]pyridine-4-carboxylate
CID 94616339
2,2-dimethylpropyl 4-(4-methoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
CID 11992422
methyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboxylate
CID 113220688
methyl 2-(2-bromopiperidin-1-yl)pyridine-4-carboxylate
CID 175100446
1-[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]ethanone
CID 135113916
methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carboxylate
CID 175477036
methyl 4-[[(2-piperidin-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzoate
CID 55770129

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylate (CID 114075096) is methyl 2-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylate is COC(=O)c1ccnc(N2CCCC(C)(O)C2)c1.
What is the InChIKey of methyl 2-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylate?
The InChIKey is KKGQSBUFTMMFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(17)5-3-7-15(9-13)11-8-10(4-6-14-11)12(16)18-2/h4,6,8,17H,3,5,7,9H2,1-2H3.
What are the key properties of methyl 2-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylate?
methyl 2-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylate is sourced from PubChem (CID 114075096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).