tert-butyl (3R)-3-(benzylamino)piperidine-1-carboxylate

C17H26N2O2 — CID 51698364

IUPACtert-butyl (3R)-3-(benzylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-11-7-10-15(13-19)18-12-14-8-5-4-6-9-14/h4-6,8-9,15,18H,7,10-13H2,1-3H3/t15-/m1/s1
InChIKeyPYOZLJFLGIAVOE-OAHLLOKOSA-N
MW290.41 g/mol
LogP3.18
Rot. Bonds3

About tert-butyl (3R)-3-(benzylamino)piperidine-1-carboxylate

tert-butyl (3R)-3-(benzylamino)piperidine-1-carboxylate (PubChem CID 51698364) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl (3R)-3-(benzylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(benzylamino)piperidine-1-carboxylate
PubChem CID51698364
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl (3R)-3-(benzylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-11-7-10-15(13-19)18-12-14-8-5-4-6-9-14/h4-6,8-9,15,18H,7,10-13H2,1-3H3/t15-/m1/s1
InChIKeyPYOZLJFLGIAVOE-OAHLLOKOSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(benzylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(benzylamino)piperidine-1-carboxylate (CID 51698364) is tert-butyl (3R)-3-(benzylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(benzylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(benzylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccccc2)C1.
What is the InChIKey of tert-butyl (3R)-3-(benzylamino)piperidine-1-carboxylate?
The InChIKey is PYOZLJFLGIAVOE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-11-7-10-15(13-19)18-12-14-8-5-4-6-9-14/h4-6,8-9,15,18H,7,10-13H2,1-3H3/t15-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(benzylamino)piperidine-1-carboxylate?
tert-butyl (3R)-3-(benzylamino)piperidine-1-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(benzylamino)piperidine-1-carboxylate is sourced from PubChem (CID 51698364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).