tert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate

C17H34N2O2 — CID 107256769

IUPACtert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate
SMILESCCC(NC1CCCN(C(=O)OC(C)(C)C)C1C)C(C)C
InChIInChI=1S/C17H34N2O2/c1-8-14(12(2)3)18-15-10-9-11-19(13(15)4)16(20)21-17(5,6)7/h12-15,18H,8-11H2,1-7H3
InChIKeyBRTSBGGBPMQXEG-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.80
Rot. Bonds4

About tert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate

tert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate (PubChem CID 107256769) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate
PubChem CID107256769
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate
SMILESCCC(NC1CCCN(C(=O)OC(C)(C)C)C1C)C(C)C
InChIInChI=1S/C17H34N2O2/c1-8-14(12(2)3)18-15-10-9-11-19(13(15)4)16(20)21-17(5,6)7/h12-15,18H,8-11H2,1-7H3
InChIKeyBRTSBGGBPMQXEG-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-methyl-3-(3-methylpentan-2-ylamino)piperidine-1-carboxylate
CID 107256753
tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 104955716
tert-butyl 2-methyl-3-(pentan-2-ylamino)piperidine-1-carboxylate
CID 104955728
2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid
CID 107256740
tert-butyl 3-(2-ethylbutylamino)-2-methylpiperidine-1-carboxylate
CID 107256768
tert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate
CID 104955747
tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate
CID 107256757
tert-butyl 2-methyl-3-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
CID 104955738
tert-butyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]piperidine-1-carboxylate
CID 107256654
tert-butyl 3-[1-(5-bromothiophen-2-yl)ethylamino]-2-methylpiperidine-1-carboxylate
CID 107256789
tert-butyl 3-(2-cyclohexylethylamino)-2-methylpiperidine-1-carboxylate
CID 107256759
tert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate
CID 106633773

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate (CID 107256769) is tert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate is CCC(NC1CCCN(C(=O)OC(C)(C)C)C1C)C(C)C.
What is the InChIKey of tert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate?
The InChIKey is BRTSBGGBPMQXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-8-14(12(2)3)18-15-10-9-11-19(13(15)4)16(20)21-17(5,6)7/h12-15,18H,8-11H2,1-7H3.
What are the key properties of tert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate?
tert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate has a molecular weight of 298.47 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 107256769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).