tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate

C16H24N2O3 — CID 145472944

IUPACtert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate
SMILESCc1cncc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C16H24N2O3/c1-12-9-14(11-17-10-12)20-13-5-7-18(8-6-13)15(19)21-16(2,3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyQCOGBIDLHMJWKJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.17
Rot. Bonds2

About tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate

tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate (PubChem CID 145472944) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate
PubChem CID145472944
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate
SMILESCc1cncc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C16H24N2O3/c1-12-9-14(11-17-10-12)20-13-5-7-18(8-6-13)15(19)21-16(2,3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyQCOGBIDLHMJWKJ-UHFFFAOYSA-N
XLogP3.17
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 140872433
tert-butyl 4-[(2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 139300514
methyl 5-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate
CID 69169990
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
tert-butyl 4-[(5-amino-3-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 68624895
tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate
CID 18542772
tert-butyl 4-[(6-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 119087105
3-cyclobutyloxy-5-methylpyridine
CID 130057239
tert-butyl 4-(4-amino-2,3,5,6-tetradeuteriophenoxy)piperidine-1-carboxylate
CID 165111874
tert-butyl 3-[(3,5-dimethyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 134495004
tert-butyl 4-[3-[(1R)-1-hydroxyethyl]phenoxy]piperidine-1-carboxylate
CID 124636293
tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate
CID 67529349

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate (CID 145472944) is tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate is Cc1cncc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate?
The InChIKey is QCOGBIDLHMJWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-9-14(11-17-10-12)20-13-5-7-18(8-6-13)15(19)21-16(2,3)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate?
tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate is sourced from PubChem (CID 145472944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).