tert-butyl 2-(dibenzylamino)piperidine-1-carboxylate

C24H32N2O2 — CID 175955351

IUPACtert-butyl 2-(dibenzylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H32N2O2/c1-24(2,3)28-23(27)26-17-11-10-16-22(26)25(18-20-12-6-4-7-13-20)19-21-14-8-5-9-15-21/h4-9,12-15,22H,10-11,16-19H2,1-3H3
InChIKeyPAGCAAOCQMJLCX-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.44
Rot. Bonds5

About tert-butyl 2-(dibenzylamino)piperidine-1-carboxylate

tert-butyl 2-(dibenzylamino)piperidine-1-carboxylate (PubChem CID 175955351) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is tert-butyl 2-(dibenzylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(dibenzylamino)piperidine-1-carboxylate
PubChem CID175955351
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Nametert-butyl 2-(dibenzylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H32N2O2/c1-24(2,3)28-23(27)26-17-11-10-16-22(26)25(18-20-12-6-4-7-13-20)19-21-14-8-5-9-15-21/h4-9,12-15,22H,10-11,16-19H2,1-3H3
InChIKeyPAGCAAOCQMJLCX-UHFFFAOYSA-N
XLogP5.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
tert-butyl (2R,3S)-3-(dibenzylamino)-2-(2-oxoethyl)piperidine-1-carboxylate
CID 177451833
2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
CID 58030139
1-O-tert-butyl 2-O-methyl (2R,4S)-4-(dibenzylamino)piperidine-1,2-dicarboxylate
CID 118473892
tert-butyl (2S)-2-[(1R)-1-[benzyl(hydroxy)amino]propyl]pyrrolidine-1-carboxylate
CID 100985144
tert-butyl 2-[(2S)-2-(dibenzylamino)-3-phenylpropanoyl]pyrrolidine-1-carboxylate
CID 57496043
tert-butyl (2S)-2-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 110677872
tert-butyl (2R)-2-[(S)-[benzyl(hydroxy)amino]-phenylmethyl]pyrrolidine-1-carboxylate
CID 100985094
tert-butyl (2R,3S)-3-(dibenzylamino)-2-(10-methoxy-10-oxodecyl)piperidine-1-carboxylate
CID 102133776
tert-butyl 2-(phenylsulfanylmethyl)piperidine-1-carboxylate
CID 69343898
tert-butyl 2-[benzyl(2-hydroxyethyl)carbamoyl]pyrrolidine-1-carboxylate
CID 78854083

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(dibenzylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(dibenzylamino)piperidine-1-carboxylate (CID 175955351) is tert-butyl 2-(dibenzylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(dibenzylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(dibenzylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of tert-butyl 2-(dibenzylamino)piperidine-1-carboxylate?
The InChIKey is PAGCAAOCQMJLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-24(2,3)28-23(27)26-17-11-10-16-22(26)25(18-20-12-6-4-7-13-20)19-21-14-8-5-9-15-21/h4-9,12-15,22H,10-11,16-19H2,1-3H3.
What are the key properties of tert-butyl 2-(dibenzylamino)piperidine-1-carboxylate?
tert-butyl 2-(dibenzylamino)piperidine-1-carboxylate has a molecular weight of 380.53 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(dibenzylamino)piperidine-1-carboxylate is sourced from PubChem (CID 175955351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).