tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate

C15H22N2O3 — CID 71630688

IUPACtert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccccn2)C1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-10-6-7-12(11-17)19-13-8-4-5-9-16-13/h4-5,8-9,12H,6-7,10-11H2,1-3H3/t12-/m1/s1
InChIKeyIHNMPDCWJDHHFZ-GFCCVEGCSA-N
MW278.35 g/mol
LogP2.86
Rot. Bonds2

About tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate

tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate (PubChem CID 71630688) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
PubChem CID71630688
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccccn2)C1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-10-6-7-12(11-17)19-13-8-4-5-9-16-13/h4-5,8-9,12H,6-7,10-11H2,1-3H3/t12-/m1/s1
InChIKeyIHNMPDCWJDHHFZ-GFCCVEGCSA-N
XLogP2.86
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
CID 24902489
tert-butyl (3R)-3-[(3-hydroxy-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630690
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71634726
tert-butyl (3R)-3-[[4-(difluoromethoxy)-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 144697957
tert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate
CID 71631003
tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate
CID 118114502
tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
CID 122257425
tert-butyl (3S)-3-[(3-cyano-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630577
tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 97114475
tert-butyl (3S)-3-(2-bromophenoxy)piperidine-1-carboxylate
CID 69433067
tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate
CID 129411647
tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 71634822

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate (CID 71630688) is tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccccn2)C1.
What is the InChIKey of tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate?
The InChIKey is IHNMPDCWJDHHFZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-10-6-7-12(11-17)19-13-8-4-5-9-16-13/h4-5,8-9,12H,6-7,10-11H2,1-3H3/t12-/m1/s1.
What are the key properties of tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate?
tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate is sourced from PubChem (CID 71630688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).