1-pyridin-3-ylethyl 1-methylpiperidine-2-carboxylate

C14H20N2O2 — CID 75468083

IUPAC1-pyridin-3-ylethyl 1-methylpiperidine-2-carboxylate
SMILESCC(OC(=O)C1CCCCN1C)c1cccnc1
InChIInChI=1S/C14H20N2O2/c1-11(12-6-5-8-15-10-12)18-14(17)13-7-3-4-9-16(13)2/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3
InChIKeyHUKXNULISVPKPZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.17
Rot. Bonds3

About 1-pyridin-3-ylethyl 1-methylpiperidine-2-carboxylate

1-pyridin-3-ylethyl 1-methylpiperidine-2-carboxylate (PubChem CID 75468083) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-pyridin-3-ylethyl 1-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Name1-pyridin-3-ylethyl 1-methylpiperidine-2-carboxylate
PubChem CID75468083
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-pyridin-3-ylethyl 1-methylpiperidine-2-carboxylate
SMILESCC(OC(=O)C1CCCCN1C)c1cccnc1
InChIInChI=1S/C14H20N2O2/c1-11(12-6-5-8-15-10-12)18-14(17)13-7-3-4-9-16(13)2/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3
InChIKeyHUKXNULISVPKPZ-UHFFFAOYSA-N
XLogP2.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate
CID 25157488
methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate
CID 129395618
1-pyridin-3-ylethyl adamantane-1-carboxylate
CID 23355085
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
1-[2-(aminomethyl)piperidin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride
CID 119466897
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
4-pyridin-3-ylbutan-2-yl 1-(3-oxoprop-1-en-2-yl)piperidine-2-carboxylate
CID 142189719
1-pyridin-3-ylethyl 4-bromo-1-methylpyrrole-2-carboxylate
CID 86813324
methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate
CID 49454499
[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl] cyclobutanecarboxylate
CID 95616017
4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide
CID 81344365
phenyl 1-methylpyrrolidine-2-carboxylate
CID 57101862

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylethyl 1-methylpiperidine-2-carboxylate?
The IUPAC name of 1-pyridin-3-ylethyl 1-methylpiperidine-2-carboxylate (CID 75468083) is 1-pyridin-3-ylethyl 1-methylpiperidine-2-carboxylate.
What is the SMILES notation for 1-pyridin-3-ylethyl 1-methylpiperidine-2-carboxylate?
The canonical SMILES for 1-pyridin-3-ylethyl 1-methylpiperidine-2-carboxylate is CC(OC(=O)C1CCCCN1C)c1cccnc1.
What is the InChIKey of 1-pyridin-3-ylethyl 1-methylpiperidine-2-carboxylate?
The InChIKey is HUKXNULISVPKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(12-6-5-8-15-10-12)18-14(17)13-7-3-4-9-16(13)2/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3.
What are the key properties of 1-pyridin-3-ylethyl 1-methylpiperidine-2-carboxylate?
1-pyridin-3-ylethyl 1-methylpiperidine-2-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylethyl 1-methylpiperidine-2-carboxylate is sourced from PubChem (CID 75468083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).