tert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate

C15H27NO4 — CID 19019548

IUPACtert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC2CCCCO2)CC1
InChIInChI=1S/C15H27NO4/c1-15(2,3)20-14(17)16-9-7-12(8-10-16)19-13-6-4-5-11-18-13/h12-13H,4-11H2,1-3H3
InChIKeyNCCCFULQLPCWEX-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.93
Rot. Bonds2

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

tert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate (PubChem CID 19019548) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate
PubChem CID19019548
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC2CCCCO2)CC1
InChIInChI=1S/C15H27NO4/c1-15(2,3)20-14(17)16-9-7-12(8-10-16)19-13-6-4-5-11-18-13/h12-13H,4-11H2,1-3H3
InChIKeyNCCCFULQLPCWEX-UHFFFAOYSA-N
XLogP2.93
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 86608801
tert-butyl 4-(1-methylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 59506078
tert-butyl (2S,4S)-2-(difluoromethyl)-4-(oxan-2-yloxy)pyrrolidine-1-carboxylate
CID 58303414
tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate
CID 46941891
tert-butyl 4-(cyclohexylmethoxy)piperidine-1-carboxylate
CID 91187513
tert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate
CID 176576765
tert-butyl 4-(7-bromoheptoxy)piperidine-1-carboxylate
CID 171081710
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
CID 57478584
tert-butyl 4-carbamoyloxypiperidine-1-carboxylate
CID 21292956
tert-butyl 7-ethyl-1,4-oxazepane-4-carboxylate
CID 159190237
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-oxoacetic acid
CID 138967384
tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate
CID 13466617

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate (CID 19019548) is tert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OC2CCCCO2)CC1.
What is the InChIKey of tert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate?
The InChIKey is NCCCFULQLPCWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-15(2,3)20-14(17)16-9-7-12(8-10-16)19-13-6-4-5-11-18-13/h12-13H,4-11H2,1-3H3.
What are the key properties of tert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate?
tert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate has a molecular weight of 285.38 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate is sourced from PubChem (CID 19019548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).