tert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate

C16H30N2O3 — CID 107094474

IUPACtert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate
SMILESCC1CC(NC2CCOCC2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-12-11-14(17-13-6-9-20-10-7-13)5-8-18(12)15(19)21-16(2,3)4/h12-14,17H,5-11H2,1-4H3
InChIKeyFATRMFRWEFQCPZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.54
Rot. Bonds2

About tert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate

tert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate (PubChem CID 107094474) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate
PubChem CID107094474
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate
SMILESCC1CC(NC2CCOCC2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-12-11-14(17-13-6-9-20-10-7-13)5-8-18(12)15(19)21-16(2,3)4/h12-14,17H,5-11H2,1-4H3
InChIKeyFATRMFRWEFQCPZ-UHFFFAOYSA-N
XLogP2.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate
CID 107094439
tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 95913489
tert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate
CID 107095247
tert-butyl 2-methyl-4-[(2-methylthian-3-yl)amino]piperidine-1-carboxylate
CID 107255183
tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate
CID 79462192
tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 18653318
tert-butyl 4-(3-methoxybutan-2-ylamino)-2-methylpiperidine-1-carboxylate
CID 107094441
tert-butyl (2S)-4-iodo-2-methylpiperidine-1-carboxylate
CID 175815373
tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate
CID 102268017
tert-butyl 2-methyl-4-(piperidin-4-ylmethylamino)piperidine-1-carboxylate
CID 107255197
tert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate
CID 115653281
tert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate
CID 83851054

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate (CID 107094474) is tert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate is CC1CC(NC2CCOCC2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate?
The InChIKey is FATRMFRWEFQCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12-11-14(17-13-6-9-20-10-7-13)5-8-18(12)15(19)21-16(2,3)4/h12-14,17H,5-11H2,1-4H3.
What are the key properties of tert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate?
tert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 107094474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).