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

C13H23FN2O2 — CID 118303127

IUPAC2-fluoroethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate
SMILESCN1CCC(C2CCCN2C(=O)OCCF)CC1
InChIInChI=1S/C13H23FN2O2/c1-15-8-4-11(5-9-15)12-3-2-7-16(12)13(17)18-10-6-14/h11-12H,2-10H2,1H3
InChIKeyUGGJANNYRWIKLS-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.90
Rot. Bonds3

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

2-fluoroethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate (PubChem CID 118303127) has the molecular formula C13H23FN2O2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-fluoroethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate
PubChem CID118303127
Molecular FormulaC13H23FN2O2
Molecular Weight258.34 g/mol
Exact Mass258.17
IUPAC Name2-fluoroethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate
SMILESCN1CCC(C2CCCN2C(=O)OCCF)CC1
InChIInChI=1S/C13H23FN2O2/c1-15-8-4-11(5-9-15)12-3-2-7-16(12)13(17)18-10-6-14/h11-12H,2-10H2,1H3
InChIKeyUGGJANNYRWIKLS-UHFFFAOYSA-N
XLogP1.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperidinecarboxylic acid, 5-ethyl-2-methyl-, isopropyl ester
CID 239253
Ethyl 4-(3-methylcyclopentyl)-1-piperazinecarboxylate
CID 2845413
2,2,2-Trifluoroethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59598944
2-Fluoroethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59598957
2,2-Difluoroethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59598971
2-Fluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59614164
Tert-butyl 3-(fluoromethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67505881
2,2,2-Trifluoroethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 70823739
2,2-Difluoroethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 88892225
2-Fluoroethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 88892233
2-Fluoroethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 89005954
2,2-Difluoroethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 89006129

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate?
The IUPAC name of 2-fluoroethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate (CID 118303127) is 2-fluoroethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-fluoroethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for 2-fluoroethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate is CN1CCC(C2CCCN2C(=O)OCCF)CC1.
What is the InChIKey of 2-fluoroethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate?
The InChIKey is UGGJANNYRWIKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O2/c1-15-8-4-11(5-9-15)12-3-2-7-16(12)13(17)18-10-6-14/h11-12H,2-10H2,1H3.
What are the key properties of 2-fluoroethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate?
2-fluoroethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate has a molecular weight of 258.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 118303127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).