tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate

C14H26N2O2 — CID 28818782

IUPACtert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCNC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-9-5-7-12(16)11-6-4-8-15-10-11/h11-12,15H,4-10H2,1-3H3/t11-,12+/m1/s1
InChIKeyOODLDFTYCOMPAI-NEPJUHHUSA-N
MW254.37 g/mol
LogP2.39
Rot. Bonds1

About tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate (PubChem CID 28818782) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
PubChem CID28818782
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCNC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-9-5-7-12(16)11-6-4-8-15-10-11/h11-12,15H,4-10H2,1-3H3/t11-,12+/m1/s1
InChIKeyOODLDFTYCOMPAI-NEPJUHHUSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (5aS,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydropyrido[4,3-b]azepine-1-carboxylate
CID 95387190
2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one
CID 60978516
(4aR,7aR)-1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine;tert-butyl (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylate
CID 161427506
tert-butyl (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
CID 178143547
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl 2-cyclohexylpiperidine-1-carboxylate
CID 164666573
tert-butyl 2-piperidin-4-ylazepane-1-carboxylate
CID 64612498
tert-butyl (6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate
CID 68748334
tert-butyl 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate;oxalic acid
CID 156758123
tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate
CID 96536723
3-methoxy-3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)butan-1-one
CID 103019654
1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one
CID 60979351

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate (CID 28818782) is tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCNC1.
What is the InChIKey of tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate?
The InChIKey is OODLDFTYCOMPAI-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-9-5-7-12(16)11-6-4-8-15-10-11/h11-12,15H,4-10H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 28818782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).