methyl 4-(diethylamino)piperidine-2-carboxylate

C11H22N2O2 — CID 112710374

IUPACmethyl 4-(diethylamino)piperidine-2-carboxylate
SMILESCCN(CC)C1CCNC(C(=O)OC)C1
InChIInChI=1S/C11H22N2O2/c1-4-13(5-2)9-6-7-12-10(8-9)11(14)15-3/h9-10,12H,4-8H2,1-3H3
InChIKeyAIESGMFBNOHBGQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds4

About methyl 4-(diethylamino)piperidine-2-carboxylate

methyl 4-(diethylamino)piperidine-2-carboxylate (PubChem CID 112710374) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 4-(diethylamino)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(diethylamino)piperidine-2-carboxylate
PubChem CID112710374
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 4-(diethylamino)piperidine-2-carboxylate
SMILESCCN(CC)C1CCNC(C(=O)OC)C1
InChIInChI=1S/C11H22N2O2/c1-4-13(5-2)9-6-7-12-10(8-9)11(14)15-3/h9-10,12H,4-8H2,1-3H3
InChIKeyAIESGMFBNOHBGQ-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-cyclopropylpiperidine-2-carboxylate
CID 117258400
methyl 4-cyclobutylpiperidine-2-carboxylate
CID 117258404
methyl (2S,4S)-4-(dimethylamino)pyrrolidine-2-carboxylate
CID 66880559
methyl (2S,4R)-4-(trifluoromethyl)piperidine-2-carboxylate;hydrochloride
CID 168976255
ethane;methanol;methyl pyrrolidine-2-carboxylate
CID 144894204
methyl N-ethyl-N-piperidin-4-ylcarbamate;hydrochloride
CID 155407834
methyl (2S)-aziridine-2-carboxylate
CID 10329257
(2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid
CID 178194781
diethyl (2R,4S)-piperidine-2,4-dicarboxylate
CID 95970372
butan-2-yl 4-methylpiperidine-2-carboxylate
CID 114425052
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
4-O-methyl 2-O-(2-trimethylsilylethyl) (2S,4R)-piperidine-2,4-dicarboxylate
CID 11087431

Frequently Asked Questions

What is the IUPAC name of methyl 4-(diethylamino)piperidine-2-carboxylate?
The IUPAC name of methyl 4-(diethylamino)piperidine-2-carboxylate (CID 112710374) is methyl 4-(diethylamino)piperidine-2-carboxylate.
What is the SMILES notation for methyl 4-(diethylamino)piperidine-2-carboxylate?
The canonical SMILES for methyl 4-(diethylamino)piperidine-2-carboxylate is CCN(CC)C1CCNC(C(=O)OC)C1.
What is the InChIKey of methyl 4-(diethylamino)piperidine-2-carboxylate?
The InChIKey is AIESGMFBNOHBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-13(5-2)9-6-7-12-10(8-9)11(14)15-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of methyl 4-(diethylamino)piperidine-2-carboxylate?
methyl 4-(diethylamino)piperidine-2-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(diethylamino)piperidine-2-carboxylate is sourced from PubChem (CID 112710374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).