tert-butyl (2R)-2-(2-piperidin-4-ylethyl)pyrrolidine-1-carboxylate

C16H30N2O2 — CID 155820775

IUPACtert-butyl (2R)-2-(2-piperidin-4-ylethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1CCC1CCNCC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)18-12-4-5-14(18)7-6-13-8-10-17-11-9-13/h13-14,17H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyLJDSBPUFRBOWDG-AWEZNQCLSA-N
MW282.43 g/mol
LogP3.17
Rot. Bonds3

About tert-butyl (2R)-2-(2-piperidin-4-ylethyl)pyrrolidine-1-carboxylate

tert-butyl (2R)-2-(2-piperidin-4-ylethyl)pyrrolidine-1-carboxylate (PubChem CID 155820775) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl (2R)-2-(2-piperidin-4-ylethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(2-piperidin-4-ylethyl)pyrrolidine-1-carboxylate
PubChem CID155820775
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl (2R)-2-(2-piperidin-4-ylethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1CCC1CCNCC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)18-12-4-5-14(18)7-6-13-8-10-17-11-9-13/h13-14,17H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyLJDSBPUFRBOWDG-AWEZNQCLSA-N
XLogP3.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-(2-piperidin-4-ylethyl)pyrrolidine-1-carboxylate
CID 155822623
tert-butyl 2-[(piperidin-4-ylmethylamino)methyl]piperidine-1-carboxylate
CID 107246835
3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 10824137
tert-butyl 2-(3-chloropropyl)pyrrolidine-1-carboxylate
CID 114293374
tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
CID 129403343
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
tert-butyl 7-(hydroxymethyl)-1,4-diazepane-1-carboxylate
CID 178201698
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl (2R)-2-(2-chloroethyl)piperidine-1-carboxylate
CID 129372327
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl 2-[2-(2-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244617
tert-butyl (2S)-2-(4-chloro-3-oxobutyl)pyrrolidine-1-carboxylate
CID 58574825

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(2-piperidin-4-ylethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(2-piperidin-4-ylethyl)pyrrolidine-1-carboxylate (CID 155820775) is tert-butyl (2R)-2-(2-piperidin-4-ylethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(2-piperidin-4-ylethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(2-piperidin-4-ylethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1CCC1CCNCC1.
What is the InChIKey of tert-butyl (2R)-2-(2-piperidin-4-ylethyl)pyrrolidine-1-carboxylate?
The InChIKey is LJDSBPUFRBOWDG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)18-12-4-5-14(18)7-6-13-8-10-17-11-9-13/h13-14,17H,4-12H2,1-3H3/t14-/m0/s1.
What are the key properties of tert-butyl (2R)-2-(2-piperidin-4-ylethyl)pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(2-piperidin-4-ylethyl)pyrrolidine-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(2-piperidin-4-ylethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 155820775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).