ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate

C14H19ClN2O2 — CID 170716467

IUPACethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(Cl)c(C)n2)CC1
InChIInChI=1S/C14H19ClN2O2/c1-3-19-14(18)11-6-8-17(9-7-11)13-5-4-12(15)10(2)16-13/h4-5,11H,3,6-9H2,1-2H3
InChIKeyPOVXZMNWGMGWID-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.82
Rot. Bonds3

About ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate

ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate (PubChem CID 170716467) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
PubChem CID170716467
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Nameethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(Cl)c(C)n2)CC1
InChIInChI=1S/C14H19ClN2O2/c1-3-19-14(18)11-6-8-17(9-7-11)13-5-4-12(15)10(2)16-13/h4-5,11H,3,6-9H2,1-2H3
InChIKeyPOVXZMNWGMGWID-UHFFFAOYSA-N
XLogP2.82
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloroquinolin-5-amine;ethyl 1-(5-amino-6-chloroquinolin-2-yl)piperidine-4-carboxylate
CID 158633521
6-chloro-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-5-carboxylic acid;2,6-dichloroquinoline-5-carboxylic acid
CID 160563241
1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide
CID 134711282
ethyl 1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylate
CID 115372977
ethyl (3S)-1-(2-chloropyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 129499368
ethyl 1-[6-chloro-5-(cyclohexylmethylcarbamoyl)quinolin-2-yl]piperidine-4-carboxylate
CID 68809358
ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate
CID 141431671
ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
CID 66656004
ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate
CID 9124455
ethyl 1-(4-chlorophthalazin-1-yl)piperidine-4-carboxylate
CID 172774199
ethyl 1-[5-[[2-(1-adamantyl)acetyl]amino]-6-chloroquinolin-2-yl]piperidine-4-carboxylate
CID 86621833
ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 66334132

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate (CID 170716467) is ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccc(Cl)c(C)n2)CC1.
What is the InChIKey of ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate?
The InChIKey is POVXZMNWGMGWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-19-14(18)11-6-8-17(9-7-11)13-5-4-12(15)10(2)16-13/h4-5,11H,3,6-9H2,1-2H3.
What are the key properties of ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate?
ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate has a molecular weight of 282.77 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate is sourced from PubChem (CID 170716467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).