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

C14H28N2O2 — CID 104955716

IUPACtert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
SMILESCC(C)NC1CCCN(C(=O)OC(C)(C)C)C1C
InChIInChI=1S/C14H28N2O2/c1-10(2)15-12-8-7-9-16(11(12)3)13(17)18-14(4,5)6/h10-12,15H,7-9H2,1-6H3
InChIKeyMLQTYWHPISIPJN-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.77
Rot. Bonds2

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

tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate (PubChem CID 104955716) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
PubChem CID104955716
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
SMILESCC(C)NC1CCCN(C(=O)OC(C)(C)C)C1C
InChIInChI=1S/C14H28N2O2/c1-10(2)15-12-8-7-9-16(11(12)3)13(17)18-14(4,5)6/h10-12,15H,7-9H2,1-6H3
InChIKeyMLQTYWHPISIPJN-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid
CID 107256740
tert-butyl 2-methyl-3-(3-methylpentan-2-ylamino)piperidine-1-carboxylate
CID 107256753
tert-butyl 2-methyl-3-(pentan-2-ylamino)piperidine-1-carboxylate
CID 104955728
tert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate
CID 107256769
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
tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate
CID 107256757
tert-butyl 3-(2-ethylbutylamino)-2-methylpiperidine-1-carboxylate
CID 107256768
tert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
CID 104955727
tert-butyl 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 104955758

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate (CID 104955716) is tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate is CC(C)NC1CCCN(C(=O)OC(C)(C)C)C1C.
What is the InChIKey of tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate?
The InChIKey is MLQTYWHPISIPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)15-12-8-7-9-16(11(12)3)13(17)18-14(4,5)6/h10-12,15H,7-9H2,1-6H3.
What are the key properties of tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate?
tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate has a molecular weight of 256.39 g/mol, XLogP of 2.77, 2 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-(propan-2-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 104955716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).