methyl 2-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate

C13H24N2O2 — CID 123254260

IUPACmethyl 2-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1CCCC1C1CCN(C)CC1
InChIInChI=1S/C13H24N2O2/c1-14-8-5-11(6-9-14)12-4-3-7-15(12)10-13(16)17-2/h11-12H,3-10H2,1-2H3
InChIKeyORDMXOVMAYYYPB-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.97
Rot. Bonds3

About methyl 2-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate

methyl 2-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate (PubChem CID 123254260) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 2-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate
PubChem CID123254260
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 2-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1CCCC1C1CCN(C)CC1
InChIInChI=1S/C13H24N2O2/c1-14-8-5-11(6-9-14)12-4-3-7-15(12)10-13(16)17-2/h11-12H,3-10H2,1-2H3
InChIKeyORDMXOVMAYYYPB-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-[4-(2-cyclopentylethyl)piperazin-1-yl]acetate
CID 86802325
Methyl 2-[2,5-dimethyl-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]acetate
CID 132604737
Methyl 2-[4-(diethylaminomethyl)piperidin-1-yl]acetate
CID 47039762
2-(3-Methyl-8-azabicyclo[3.2.1]octan-8-yl)ethyl acetate
CID 20795167
Ethyl 2-(2,4-dimethylpiperidin-1-yl)acetate
CID 20795185
Methyl 2-(2-pyrrolidin-3-ylpiperidin-1-yl)acetate
CID 22480337
Methyl 2-[4-(2-methylpropyl)piperidin-1-yl]acetate
CID 23562718
(1,4-Dimethylpiperidin-2-yl)methyl 2-(dimethylamino)acetate
CID 54055274
Methyl 2-[methyl-(4-methylcyclohexyl)amino]acetate
CID 57678210
methyl 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]propanoate
CID 59033018
methyl 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetate
CID 59033037
methyl 2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetate
CID 59252929

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate?
The IUPAC name of methyl 2-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate (CID 123254260) is methyl 2-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate is COC(=O)CN1CCCC1C1CCN(C)CC1.
What is the InChIKey of methyl 2-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate?
The InChIKey is ORDMXOVMAYYYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14-8-5-11(6-9-14)12-4-3-7-15(12)10-13(16)17-2/h11-12H,3-10H2,1-2H3.
What are the key properties of methyl 2-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate?
methyl 2-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate has a molecular weight of 240.35 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate is sourced from PubChem (CID 123254260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).