tert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate

C15H28N2O2 — CID 43652193

IUPACtert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate
SMILESCC(NC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1
InChIInChI=1S/C15H28N2O2/c1-11(12-5-6-12)16-13-7-9-17(10-8-13)14(18)19-15(2,3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyHUYLFZFZNLDTMP-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.77
Rot. Bonds3

About tert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate

tert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate (PubChem CID 43652193) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate
PubChem CID43652193
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate
SMILESCC(NC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1
InChIInChI=1S/C15H28N2O2/c1-11(12-5-6-12)16-13-7-9-17(10-8-13)14(18)19-15(2,3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyHUYLFZFZNLDTMP-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate
CID 81389556
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-(oxan-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103783530
tert-butyl 3-(1-cyclopropylethylamino)azepane-1-carboxylate
CID 103729707
tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate
CID 107241659
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-[[(1S)-1-cyclopropylethoxy]carbonylamino]piperidine-1-carboxylate
CID 129418730
tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate
CID 79692176

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate (CID 43652193) is tert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate is CC(NC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1.
What is the InChIKey of tert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate?
The InChIKey is HUYLFZFZNLDTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(12-5-6-12)16-13-7-9-17(10-8-13)14(18)19-15(2,3)4/h11-13,16H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate?
tert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 43652193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).