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

C16H32N2O2 — CID 104955728

IUPACtert-butyl 2-methyl-3-(pentan-2-ylamino)piperidine-1-carboxylate
SMILESCCCC(C)NC1CCCN(C(=O)OC(C)(C)C)C1C
InChIInChI=1S/C16H32N2O2/c1-7-9-12(2)17-14-10-8-11-18(13(14)3)15(19)20-16(4,5)6/h12-14,17H,7-11H2,1-6H3
InChIKeySZNVDHXXSMVKDK-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.55
Rot. Bonds4

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

tert-butyl 2-methyl-3-(pentan-2-ylamino)piperidine-1-carboxylate (PubChem CID 104955728) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl 2-methyl-3-(pentan-2-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-3-(pentan-2-ylamino)piperidine-1-carboxylate
PubChem CID104955728
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl 2-methyl-3-(pentan-2-ylamino)piperidine-1-carboxylate
SMILESCCCC(C)NC1CCCN(C(=O)OC(C)(C)C)C1C
InChIInChI=1S/C16H32N2O2/c1-7-9-12(2)17-14-10-8-11-18(13(14)3)15(19)20-16(4,5)6/h12-14,17H,7-11H2,1-6H3
InChIKeySZNVDHXXSMVKDK-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 104955716
tert-butyl 2-methyl-3-(3-methylpentan-2-ylamino)piperidine-1-carboxylate
CID 107256753
tert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate
CID 107256769
2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid
CID 107256740
tert-butyl 2-[2-(heptan-2-ylamino)cyclopentyl]pyrrolidine-1-carboxylate
CID 113248518
tert-butyl 3-(2-ethylbutylamino)-2-methylpiperidine-1-carboxylate
CID 107256768
tert-butyl 4-(pentan-2-ylamino)azepane-1-carboxylate
CID 103980373
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 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate
CID 104955747
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-3-(pentan-2-ylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-3-(pentan-2-ylamino)piperidine-1-carboxylate (CID 104955728) is tert-butyl 2-methyl-3-(pentan-2-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-3-(pentan-2-ylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-3-(pentan-2-ylamino)piperidine-1-carboxylate is CCCC(C)NC1CCCN(C(=O)OC(C)(C)C)C1C.
What is the InChIKey of tert-butyl 2-methyl-3-(pentan-2-ylamino)piperidine-1-carboxylate?
The InChIKey is SZNVDHXXSMVKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-7-9-12(2)17-14-10-8-11-18(13(14)3)15(19)20-16(4,5)6/h12-14,17H,7-11H2,1-6H3.
What are the key properties of tert-butyl 2-methyl-3-(pentan-2-ylamino)piperidine-1-carboxylate?
tert-butyl 2-methyl-3-(pentan-2-ylamino)piperidine-1-carboxylate has a molecular weight of 284.44 g/mol, XLogP of 3.55, 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-(pentan-2-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 104955728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).