tert-butyl 4-[(2,2-dimethylcyclopropyl)methylamino]piperidine-1-carboxylate

C16H30N2O2 — CID 103729701

IUPACtert-butyl 4-[(2,2-dimethylcyclopropyl)methylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCC2CC2(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-15(2,3)20-14(19)18-8-6-13(7-9-18)17-11-12-10-16(12,4)5/h12-13,17H,6-11H2,1-5H3
InChIKeyNCBWJCHYOAMMNM-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.02
Rot. Bonds3

About tert-butyl 4-[(2,2-dimethylcyclopropyl)methylamino]piperidine-1-carboxylate

tert-butyl 4-[(2,2-dimethylcyclopropyl)methylamino]piperidine-1-carboxylate (PubChem CID 103729701) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl 4-[(2,2-dimethylcyclopropyl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2,2-dimethylcyclopropyl)methylamino]piperidine-1-carboxylate
PubChem CID103729701
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl 4-[(2,2-dimethylcyclopropyl)methylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCC2CC2(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-15(2,3)20-14(19)18-8-6-13(7-9-18)17-11-12-10-16(12,4)5/h12-13,17H,6-11H2,1-5H3
InChIKeyNCBWJCHYOAMMNM-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[(2,2-dimethylcyclopropyl)methylamino]pyrrolidine-1-carboxylate
CID 103802015
tert-butyl 4-(prop-2-ynylamino)piperidine-1-carboxylate
CID 43652133
tert-butyl 4-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate;hydrochloride
CID 56965527
tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate
CID 60920457
tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43652168
tert-butyl 4-[(3-iodo-3-oxopropyl)amino]piperidine-1-carboxylate
CID 89193788
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]amino]propanoic acid
CID 103980886
tert-butyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate
CID 103952748
tert-butyl 4-[(1-ethylpiperidin-4-yl)methylamino]azepane-1-carboxylate
CID 113361554
tert-butyl 4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidine-1-carboxylate
CID 103699049
tert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate
CID 102696916
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2,2-dimethylcyclopropyl)methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2,2-dimethylcyclopropyl)methylamino]piperidine-1-carboxylate (CID 103729701) is tert-butyl 4-[(2,2-dimethylcyclopropyl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2,2-dimethylcyclopropyl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2,2-dimethylcyclopropyl)methylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCC2CC2(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2,2-dimethylcyclopropyl)methylamino]piperidine-1-carboxylate?
The InChIKey is NCBWJCHYOAMMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-15(2,3)20-14(19)18-8-6-13(7-9-18)17-11-12-10-16(12,4)5/h12-13,17H,6-11H2,1-5H3.
What are the key properties of tert-butyl 4-[(2,2-dimethylcyclopropyl)methylamino]piperidine-1-carboxylate?
tert-butyl 4-[(2,2-dimethylcyclopropyl)methylamino]piperidine-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2,2-dimethylcyclopropyl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 103729701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).