tert-butyl 4-[1-(1-methylcyclopropyl)ethylamino]piperidine-1-carboxylate

C16H30N2O2 — CID 103729502

IUPACtert-butyl 4-[1-(1-methylcyclopropyl)ethylamino]piperidine-1-carboxylate
SMILESCC(NC1CCN(C(=O)OC(C)(C)C)CC1)C1(C)CC1
InChIInChI=1S/C16H30N2O2/c1-12(16(5)8-9-16)17-13-6-10-18(11-7-13)14(19)20-15(2,3)4/h12-13,17H,6-11H2,1-5H3
InChIKeyAOZDECRLDGAFSY-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.16
Rot. Bonds3

About tert-butyl 4-[1-(1-methylcyclopropyl)ethylamino]piperidine-1-carboxylate

tert-butyl 4-[1-(1-methylcyclopropyl)ethylamino]piperidine-1-carboxylate (PubChem CID 103729502) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl 4-[1-(1-methylcyclopropyl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(1-methylcyclopropyl)ethylamino]piperidine-1-carboxylate
PubChem CID103729502
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl 4-[1-(1-methylcyclopropyl)ethylamino]piperidine-1-carboxylate
SMILESCC(NC1CCN(C(=O)OC(C)(C)C)CC1)C1(C)CC1
InChIInChI=1S/C16H30N2O2/c1-12(16(5)8-9-16)17-13-6-10-18(11-7-13)14(19)20-15(2,3)4/h12-13,17H,6-11H2,1-5H3
InChIKeyAOZDECRLDGAFSY-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.16
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-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate
CID 107241659
tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate
CID 81389556
benzene;tert-butyl 4-[1-(cyclopropylamino)ethyl]-4-(methoxymethyl)piperidine-1-carboxylate;ethane
CID 144903317
tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate
CID 79692176
N-[1-(1-methylcyclopropyl)ethyl]cyclopropanamine
CID 43363059
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]amino]propanoic acid
CID 103981851
tert-butyl 4-(1-cyclopropylethylamino)azepane-1-carboxylate
CID 103980938
tert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate
CID 126454930
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-(4-hydroxy-4-methylpiperidin-1-yl)piperidine-1-carboxylate
CID 67298757
tert-butyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]azepane-1-carboxylate
CID 103981825

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(1-methylcyclopropyl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(1-methylcyclopropyl)ethylamino]piperidine-1-carboxylate (CID 103729502) is tert-butyl 4-[1-(1-methylcyclopropyl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(1-methylcyclopropyl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(1-methylcyclopropyl)ethylamino]piperidine-1-carboxylate is CC(NC1CCN(C(=O)OC(C)(C)C)CC1)C1(C)CC1.
What is the InChIKey of tert-butyl 4-[1-(1-methylcyclopropyl)ethylamino]piperidine-1-carboxylate?
The InChIKey is AOZDECRLDGAFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(16(5)8-9-16)17-13-6-10-18(11-7-13)14(19)20-15(2,3)4/h12-13,17H,6-11H2,1-5H3.
What are the key properties of tert-butyl 4-[1-(1-methylcyclopropyl)ethylamino]piperidine-1-carboxylate?
tert-butyl 4-[1-(1-methylcyclopropyl)ethylamino]piperidine-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 3.16, 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-(1-methylcyclopropyl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 103729502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).