tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate

C17H32N2O2 — CID 81389556

IUPACtert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate
SMILESC[C@H](NC1CCN(C(=O)OC(C)(C)C)CC1)C1CCCC1
InChIInChI=1S/C17H32N2O2/c1-13(14-7-5-6-8-14)18-15-9-11-19(12-10-15)16(20)21-17(2,3)4/h13-15,18H,5-12H2,1-4H3/t13-/m0/s1
InChIKeyDSZIBAMQFOQCLE-ZDUSSCGKSA-N
MW296.45 g/mol
LogP3.55
Rot. Bonds3

About tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate (PubChem CID 81389556) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate
PubChem CID81389556
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate
SMILESC[C@H](NC1CCN(C(=O)OC(C)(C)C)CC1)C1CCCC1
InChIInChI=1S/C17H32N2O2/c1-13(14-7-5-6-8-14)18-15-9-11-19(12-10-15)16(20)21-17(2,3)4/h13-15,18H,5-12H2,1-4H3/t13-/m0/s1
InChIKeyDSZIBAMQFOQCLE-ZDUSSCGKSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate
CID 43652193
tert-butyl 4-(1-cyclopropylethylamino)azepane-1-carboxylate
CID 103980938
tert-butyl (4R)-4-[[(1R)-1-(oxan-4-yl)ethyl]amino]azepane-1-carboxylate
CID 99821438
tert-butyl (4S)-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]azepane-1-carboxylate
CID 99821439
tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
CID 115677343
tert-butyl 3-(1-cyclopropylethylamino)azepane-1-carboxylate
CID 103729707
tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
tert-butyl 3-[1-(oxan-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103783530
tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate
CID 107241659
ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate
CID 81390651
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]amino]propanoic acid
CID 103981851

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate (CID 81389556) is tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate is C[C@H](NC1CCN(C(=O)OC(C)(C)C)CC1)C1CCCC1.
What is the InChIKey of tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate?
The InChIKey is DSZIBAMQFOQCLE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13(14-7-5-6-8-14)18-15-9-11-19(12-10-15)16(20)21-17(2,3)4/h13-15,18H,5-12H2,1-4H3/t13-/m0/s1.
What are the key properties of tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 81389556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).