tert-butyl 4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-4-methylpiperidine-1-carboxylate

C19H36N2O3 — CID 75503508

IUPACtert-butyl 4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-4-methylpiperidine-1-carboxylate
SMILESCC1CC(NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)CC(C)O1
InChIInChI=1S/C19H36N2O3/c1-14-11-16(12-15(2)23-14)20-13-19(6)7-9-21(10-8-19)17(22)24-18(3,4)5/h14-16,20H,7-13H2,1-6H3
InChIKeyCPFWFKKCCDAZME-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.57
Rot. Bonds3

About tert-butyl 4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-4-methylpiperidine-1-carboxylate

tert-butyl 4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-4-methylpiperidine-1-carboxylate (PubChem CID 75503508) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is tert-butyl 4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-4-methylpiperidine-1-carboxylate
PubChem CID75503508
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Nametert-butyl 4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-4-methylpiperidine-1-carboxylate
SMILESCC1CC(NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)CC(C)O1
InChIInChI=1S/C19H36N2O3/c1-14-11-16(12-15(2)23-14)20-13-19(6)7-9-21(10-8-19)17(22)24-18(3,4)5/h14-16,20H,7-13H2,1-6H3
InChIKeyCPFWFKKCCDAZME-UHFFFAOYSA-N
XLogP3.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-4-methylpiperidine-1-carboxylate (CID 75503508) is tert-butyl 4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-4-methylpiperidine-1-carboxylate is CC1CC(NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)CC(C)O1.
What is the InChIKey of tert-butyl 4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-4-methylpiperidine-1-carboxylate?
The InChIKey is CPFWFKKCCDAZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3/c1-14-11-16(12-15(2)23-14)20-13-19(6)7-9-21(10-8-19)17(22)24-18(3,4)5/h14-16,20H,7-13H2,1-6H3.
What are the key properties of tert-butyl 4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-4-methylpiperidine-1-carboxylate?
tert-butyl 4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-4-methylpiperidine-1-carboxylate has a molecular weight of 340.51 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 75503508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).