tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate

C18H36N2O2 — CID 103460936

IUPACtert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate
SMILESCCC(C)(C)CNC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H36N2O2/c1-8-18(6,7)13-19-14(2)15-10-9-11-20(12-15)16(21)22-17(3,4)5/h14-15,19H,8-13H2,1-7H3
InChIKeyZBIDSYYCNDXFAA-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.05
Rot. Bonds5

About tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate

tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate (PubChem CID 103460936) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate
PubChem CID103460936
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate
SMILESCCC(C)(C)CNC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H36N2O2/c1-8-18(6,7)13-19-14(2)15-10-9-11-20(12-15)16(21)22-17(3,4)5/h14-15,19H,8-13H2,1-7H3
InChIKeyZBIDSYYCNDXFAA-UHFFFAOYSA-N
XLogP4.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]ethylamino]acetic acid
CID 63586245
tert-butyl 3-[1-(2-aminoethylamino)ethyl]piperidine-1-carboxylate
CID 63586966
tert-butyl 3-[1-(2-ethoxyethylamino)ethyl]piperidine-1-carboxylate
CID 63586965
tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997
tert-butyl 3-[1-(ethoxyamino)ethyl]piperidine-1-carboxylate
CID 82709755
tert-butyl 3-[1-[(1-hydroxy-2-methylbutan-2-yl)amino]ethyl]piperidine-1-carboxylate
CID 103680604
tert-butyl (3R)-3-[(1S)-1-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]piperidine-1-carboxylate
CID 124677669
tert-butyl 3-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]piperidine-1-carboxylate
CID 104956178
tert-butyl 3-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 65312713
tert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate
CID 63585875
tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate
CID 104980417

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate (CID 103460936) is tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate is CCC(C)(C)CNC(C)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate?
The InChIKey is ZBIDSYYCNDXFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-8-18(6,7)13-19-14(2)15-10-9-11-20(12-15)16(21)22-17(3,4)5/h14-15,19H,8-13H2,1-7H3.
What are the key properties of tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate has a molecular weight of 312.50 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 103460936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).