tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate

C16H24N2O3 — CID 163238292

IUPACtert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate
SMILESCOc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cn1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-9-5-6-13(11-18)12-7-8-14(20-4)17-10-12/h7-8,10,13H,5-6,9,11H2,1-4H3
InChIKeyMQFKXNNVBZKNJH-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.20
Rot. Bonds2

About tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate

tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate (PubChem CID 163238292) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate
PubChem CID163238292
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate
SMILESCOc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cn1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-9-5-6-13(11-18)12-7-8-14(20-4)17-10-12/h7-8,10,13H,5-6,9,11H2,1-4H3
InChIKeyMQFKXNNVBZKNJH-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate
CID 164888365
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl 3-[[(6-methoxy-3-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 103759143
tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate
CID 146204566
tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate
CID 135135280
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 3-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxylate
CID 168512802
tert-butyl (3S)-3-[(5-amino-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 127264139
tert-butyl 3-[4-(2-methoxy-2-oxoethoxy)phenyl]piperidine-1-carboxylate
CID 139730433
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 86317858
tert-butyl (3S)-3-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-1-carboxylate;sulfane
CID 161346804
tert-butyl 3-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 172992144

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate (CID 163238292) is tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate is COc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cn1.
What is the InChIKey of tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate?
The InChIKey is MQFKXNNVBZKNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-9-5-6-13(11-18)12-7-8-14(20-4)17-10-12/h7-8,10,13H,5-6,9,11H2,1-4H3.
What are the key properties of tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate?
tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 163238292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).