ethyl 3-(dimethylamino)piperidine-1-carboxylate

C10H20N2O2 — CID 63862577

IUPACethyl 3-(dimethylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C10H20N2O2/c1-4-14-10(13)12-7-5-6-9(8-12)11(2)3/h9H,4-8H2,1-3H3
InChIKeyKCUGUNLUKRGODF-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.17
Rot. Bonds2

About ethyl 3-(dimethylamino)piperidine-1-carboxylate

ethyl 3-(dimethylamino)piperidine-1-carboxylate (PubChem CID 63862577) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 3-(dimethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(dimethylamino)piperidine-1-carboxylate
PubChem CID63862577
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameethyl 3-(dimethylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C10H20N2O2/c1-4-14-10(13)12-7-5-6-9(8-12)11(2)3/h9H,4-8H2,1-3H3
InChIKeyKCUGUNLUKRGODF-UHFFFAOYSA-N
XLogP1.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate
CID 162757671
ethyl 4-[(3S)-3-(dimethylamino)piperidin-1-yl]sulfonylpiperazine-1-carboxylate
CID 95313235
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
CID 131155211
cyclopropyl-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090748
ethyl (3S)-3-(chloromethyl)piperidine-1-carboxylate
CID 124705532
3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-methoxypropan-1-one
CID 106113073
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 3-(2-bromoacetyl)piperidine-1-carboxylate
CID 20814354
(1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 81168310
ethyl 4-[ethyl(methyl)amino]piperidine-1-carboxylate
CID 143591988
ethyl 3-[1,3-benzothiazol-2-yl(methyl)amino]piperidine-1-carboxylate
CID 15725143

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 3-(dimethylamino)piperidine-1-carboxylate (CID 63862577) is ethyl 3-(dimethylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(dimethylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-(dimethylamino)piperidine-1-carboxylate is CCOC(=O)N1CCCC(N(C)C)C1.
What is the InChIKey of ethyl 3-(dimethylamino)piperidine-1-carboxylate?
The InChIKey is KCUGUNLUKRGODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-14-10(13)12-7-5-6-9(8-12)11(2)3/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 3-(dimethylamino)piperidine-1-carboxylate?
ethyl 3-(dimethylamino)piperidine-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 63862577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).