methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate

C14H20N2O2 — CID 114272253

IUPACmethyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2cc(C)nc(C)c2)C1
InChIInChI=1S/C14H20N2O2/c1-10-7-13(8-11(2)15-10)16-6-4-5-12(9-16)14(17)18-3/h7-8,12H,4-6,9H2,1-3H3
InChIKeyBSQCYPKGLFKNFC-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.09
Rot. Bonds2

About methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate

methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate (PubChem CID 114272253) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate
PubChem CID114272253
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2cc(C)nc(C)c2)C1
InChIInChI=1S/C14H20N2O2/c1-10-7-13(8-11(2)15-10)16-6-4-5-12(9-16)14(17)18-3/h7-8,12H,4-6,9H2,1-3H3
InChIKeyBSQCYPKGLFKNFC-UHFFFAOYSA-N
XLogP2.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 117028088
methyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate
CID 115538410
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-3-carboxylate
CID 78920412
methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 115538397
1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid
CID 122051050
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate
CID 115538469
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815
methyl 1-(4-cyanophenyl)piperidine-3-carboxylate
CID 78920280
methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate
CID 133326631
methyl 1-(3-bromo-4-carbamothioylphenyl)piperidine-3-carboxylate
CID 107278010
methyl 1-(4-chloro-2-methylphenyl)piperidine-3-carboxylate
CID 117028082

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate (CID 114272253) is methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate is COC(=O)C1CCCN(c2cc(C)nc(C)c2)C1.
What is the InChIKey of methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate?
The InChIKey is BSQCYPKGLFKNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-7-13(8-11(2)15-10)16-6-4-5-12(9-16)14(17)18-3/h7-8,12H,4-6,9H2,1-3H3.
What are the key properties of methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate?
methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate is sourced from PubChem (CID 114272253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).