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

C14H26N2O2 — CID 97298298

IUPACtert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCNC2)C1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-8-6-12(10-16)11-5-4-7-15-9-11/h11-12,15H,4-10H2,1-3H3/t11-,12+/m0/s1
InChIKeyBXOITTLUZJMZAM-NWDGAFQWSA-N
MW254.37 g/mol
LogP2.24
Rot. Bonds1

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

tert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate (PubChem CID 97298298) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
PubChem CID97298298
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCNC2)C1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-8-6-12(10-16)11-5-4-7-15-9-11/h11-12,15H,4-10H2,1-3H3/t11-,12+/m0/s1
InChIKeyBXOITTLUZJMZAM-NWDGAFQWSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate
CID 96536723
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CID 71305999
tert-butyl 3-piperidin-3-yloxypyrrolidine-1-carboxylate
CID 126844367
tert-butyl (5aR,9aR)-3,4,5,5a,6,7,9,9a-octahydro-2H-pyrido[4,3-f][1,4]oxazepine-8-carboxylate
CID 124703831
tert-butyl 1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 73171544
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tert-butyl (1S,6R)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124704176
tert-butyl (3aS,8aR)-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine-2-carboxylate
CID 71306003
tert-butyl 1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 68729079
tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate (CID 97298298) is tert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCNC2)C1.
What is the InChIKey of tert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate?
The InChIKey is BXOITTLUZJMZAM-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-8-6-12(10-16)11-5-4-7-15-9-11/h11-12,15H,4-10H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate?
tert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 97298298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).