tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate

C16H28N2O3 — CID 105021923

IUPACtert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C16H28N2O3/c1-16(2,3)21-15(19)18-9-7-13(8-10-18)17-12-14-6-4-5-11-20-14/h5,11,13-14,17H,4,6-10,12H2,1-3H3
InChIKeyAFQRVNDERLBUGS-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.67
Rot. Bonds3

About tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate

tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate (PubChem CID 105021923) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
PubChem CID105021923
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nametert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C16H28N2O3/c1-16(2,3)21-15(19)18-9-7-13(8-10-18)17-12-14-6-4-5-11-20-14/h5,11,13-14,17H,4,6-10,12H2,1-3H3
InChIKeyAFQRVNDERLBUGS-UHFFFAOYSA-N
XLogP2.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[[(3R)-3-amino-3,4-dihydro-2H-pyran-6-yl]methylamino]methyl]piperidine-1-carboxylate
CID 126745416
tert-butyl N-[2-[3-(4-aminopiperidin-1-yl)propoxy]ethyl]-N-pent-4-enylcarbamate
CID 169971071
[(2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylazetidin-3-yl] piperazine-1-carboxylate
CID 176037095
tert-butyl 4-[(2-methyl-3H-furan-2-yl)methylamino]piperidine-1-carboxylate
CID 53443720
1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methoxyethanone
CID 62064231
1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 62064232
1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 62064233
ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
CID 62064539
1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]ethanone
CID 62066929
tert-butyl N-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]carbamate
CID 102613513
tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)azepane-1-carboxylate
CID 102613514
tert-butyl 3-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]piperidine-1-carboxylate
CID 102613518

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate (CID 105021923) is tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCC2CCC=CO2)CC1.
What is the InChIKey of tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate?
The InChIKey is AFQRVNDERLBUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-16(2,3)21-15(19)18-9-7-13(8-10-18)17-12-14-6-4-5-11-20-14/h5,11,13-14,17H,4,6-10,12H2,1-3H3.
What are the key properties of tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate?
tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 105021923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).