ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate

C13H24N2O2 — CID 118303128

IUPACethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1C1CCN(C)CC1
InChIInChI=1S/C13H24N2O2/c1-3-17-13(16)15-8-4-5-12(15)11-6-9-14(2)10-7-11/h11-12H,3-10H2,1-2H3
InChIKeyFTKGCVLTRSHSHJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.95
Rot. Bonds2

About ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate

ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate (PubChem CID 118303128) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate
PubChem CID118303128
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nameethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1C1CCN(C)CC1
InChIInChI=1S/C13H24N2O2/c1-3-17-13(16)15-8-4-5-12(15)11-6-9-14(2)10-7-11/h11-12H,3-10H2,1-2H3
InChIKeyFTKGCVLTRSHSHJ-UHFFFAOYSA-N
XLogP1.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[4-(aminomethyl)phenyl]-2-(1-methylpiperidin-4-yl)piperazine-1-carboxylate
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ethyl 2-pyrrolidin-2-ylpyrrolidine-1-carboxylate
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(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
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ethyl 2-ethoxypyrrolidine-1-carboxylate
CID 10976224
2-hydroxyethyl 2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate
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CID 43404889
ethyl (7aS)-6-acetyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;hydrate;hydrochloride
CID 18610964
ethyl 4-[4-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]piperidin-1-yl]azepane-1-carboxylate
CID 123856999
methyl 2-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate
CID 123254260
(4Z,6Z)-4-(methylideneamino)-1-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]octa-4,6-dien-1-one
CID 135161762
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
ethyl 2-[2-(oxan-2-yl)pyrrolidin-1-yl]-2-oxoacetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate (CID 118303128) is ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate is CCOC(=O)N1CCCC1C1CCN(C)CC1.
What is the InChIKey of ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate?
The InChIKey is FTKGCVLTRSHSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-17-13(16)15-8-4-5-12(15)11-6-9-14(2)10-7-11/h11-12H,3-10H2,1-2H3.
What are the key properties of ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate?
ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 118303128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).