tert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate

C19H30N2O2 — CID 68939802

IUPACtert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCc2ccccc2)C(C)(C)C1
InChIInChI=1S/C19H30N2O2/c1-18(2,3)23-17(22)21-12-11-16(19(4,5)14-21)20-13-15-9-7-6-8-10-15/h6-10,16,20H,11-14H2,1-5H3
InChIKeyIQJPOAOYLGYXEM-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.81
Rot. Bonds3

About tert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate

tert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate (PubChem CID 68939802) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate
PubChem CID68939802
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCc2ccccc2)C(C)(C)C1
InChIInChI=1S/C19H30N2O2/c1-18(2,3)23-17(22)21-12-11-16(19(4,5)14-21)20-13-15-9-7-6-8-10-15/h6-10,16,20H,11-14H2,1-5H3
InChIKeyIQJPOAOYLGYXEM-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (4R)-3,3-dimethyl-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylate
CID 86707892
tert-butyl 3,3-dimethyl-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 114235505
tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpiperidine-1-carboxylate
CID 114235518
(3S,4R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-3-carboxylic acid
CID 67333470
tert-butyl (3R,4S)-4-(benzylamino)-3-propan-2-yloxypiperidine-1-carboxylate
CID 86648684
tert-butyl 4-(2-chloro-6-methylanilino)-3,3-dimethylpiperidine-1-carboxylate
CID 114235474
2-(benzylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
CID 134231640
(3S,4R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[(1R)-1-phenylethyl]amino]piperidine-3-carboxylic acid
CID 123683787
tert-butyl 3-(benzylamino)-4-oxopyrrolidine-1-carboxylate
CID 91293938
tert-butyl (4R)-3,3-difluoro-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylate
CID 122445238
tert-butyl 3,3-difluoro-4-(1-phenylethylamino)piperidine-1-carboxylate
CID 145134217
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate (CID 68939802) is tert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCc2ccccc2)C(C)(C)C1.
What is the InChIKey of tert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate?
The InChIKey is IQJPOAOYLGYXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-18(2,3)23-17(22)21-12-11-16(19(4,5)14-21)20-13-15-9-7-6-8-10-15/h6-10,16,20H,11-14H2,1-5H3.
What are the key properties of tert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate?
tert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate has a molecular weight of 318.46 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 68939802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).