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

C18H28N2O2 — CID 174899378

IUPACtert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate
SMILESCC(N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-14(15-9-6-5-7-10-15)19-16-11-8-12-20(13-16)17(21)22-18(2,3)4/h5-7,9-10,14,16,19H,8,11-13H2,1-4H3/t14?,16-/m1/s1
InChIKeyUHVGTOXPPQJXBN-BZSJEYESSA-N
MW304.43 g/mol
LogP3.74
Rot. Bonds3

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

tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate (PubChem CID 174899378) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate
PubChem CID174899378
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate
SMILESCC(N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-14(15-9-6-5-7-10-15)19-16-11-8-12-20(13-16)17(21)22-18(2,3)4/h5-7,9-10,14,16,19H,8,11-13H2,1-4H3/t14?,16-/m1/s1
InChIKeyUHVGTOXPPQJXBN-BZSJEYESSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-[[(1R)-1-(1H-pyrrol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 97175470
tert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate
CID 71633316
tert-butyl 3-(1-thiophen-3-ylethylamino)azepane-1-carboxylate
CID 103783574
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl 3-[1-(4-bromophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103711104
tert-butyl 3-[1-(3-fluorophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103711103
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
tert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate
CID 102537949
(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[[(1S)-1-phenylethyl]amino]piperidine-4-carboxylic acid
CID 118136318
tert-butyl 4-[[(1S)-1-pyridin-3-ylethyl]amino]azepane-1-carboxylate
CID 103982627
tert-butyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]piperidine-1-carboxylate
CID 113261588
tert-butyl 3-[1-(2,3-dichlorophenyl)ethylamino]azepane-1-carboxylate
CID 114079617

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate (CID 174899378) is tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate is CC(N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1.
What is the InChIKey of tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate?
The InChIKey is UHVGTOXPPQJXBN-BZSJEYESSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(15-9-6-5-7-10-15)19-16-11-8-12-20(13-16)17(21)22-18(2,3)4/h5-7,9-10,14,16,19H,8,11-13H2,1-4H3/t14?,16-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate?
tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate has a molecular weight of 304.43 g/mol, XLogP of 3.74, 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-(1-phenylethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 174899378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).