tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate

C17H26N2O3 — CID 170079671

IUPACtert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
SMILESCCOc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H26N2O3/c1-5-21-15-8-6-7-14(18-15)13-9-11-19(12-10-13)16(20)22-17(2,3)4/h6-8,13H,5,9-12H2,1-4H3
InChIKeyQJQJCKJKWNHWMJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.59
Rot. Bonds3

About tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate

tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate (PubChem CID 170079671) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
PubChem CID170079671
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
SMILESCCOc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H26N2O3/c1-5-21-15-8-6-7-14(18-15)13-9-11-19(12-10-13)16(20)22-17(2,3)4/h6-8,13H,5,9-12H2,1-4H3
InChIKeyQJQJCKJKWNHWMJ-UHFFFAOYSA-N
XLogP3.59
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230097
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-[6-[(4-acetyl-3-methoxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate
CID 163253291
tert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate
CID 163253222
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate
CID 118960889
tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate
CID 162748495
tert-butyl 4-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]piperidine-1-carboxylate
CID 71630068
tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate
CID 168797696
tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate (CID 170079671) is tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate is CCOc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate?
The InChIKey is QJQJCKJKWNHWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-21-15-8-6-7-14(18-15)13-9-11-19(12-10-13)16(20)22-17(2,3)4/h6-8,13H,5,9-12H2,1-4H3.
What are the key properties of tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate?
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 170079671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).