methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate

C13H18N2O2 — CID 62007370

IUPACmethyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2cccc(C)n2)CC1
InChIInChI=1S/C13H18N2O2/c1-10-4-3-5-12(14-10)15-8-6-11(7-9-15)13(16)17-2/h3-5,11H,6-9H2,1-2H3
InChIKeyJTMNVLSRMDSLQJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.78
Rot. Bonds2

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

methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate (PubChem CID 62007370) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate
PubChem CID62007370
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namemethyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2cccc(C)n2)CC1
InChIInChI=1S/C13H18N2O2/c1-10-4-3-5-12(14-10)15-8-6-11(7-9-15)13(16)17-2/h3-5,11H,6-9H2,1-2H3
InChIKeyJTMNVLSRMDSLQJ-UHFFFAOYSA-N
XLogP1.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133313226
1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 166603331
methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
CID 79099458
methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 114276570
ethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 67136421
ethane;N-methylmethanamine;2-methyl-6-pyrrolidin-1-ylpyridine
CID 156652479
methyl 1-(3-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 55138629
1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
CID 96518828
tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate
CID 132508976
ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate
CID 108773397
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
(3R)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 67001485

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate (CID 62007370) is methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate is COC(=O)C1CCN(c2cccc(C)n2)CC1.
What is the InChIKey of methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate?
The InChIKey is JTMNVLSRMDSLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-4-3-5-12(14-10)15-8-6-11(7-9-15)13(16)17-2/h3-5,11H,6-9H2,1-2H3.
What are the key properties of methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate?
methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate is sourced from PubChem (CID 62007370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).