methyl 4-pyridin-3-yloxycyclohexane-1-carboxylate

C13H17NO3 — CID 67421433

IUPACmethyl 4-pyridin-3-yloxycyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C13H17NO3/c1-16-13(15)10-4-6-11(7-5-10)17-12-3-2-8-14-9-12/h2-3,8-11H,4-7H2,1H3
InChIKeyOVJULITXCQRNNY-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.19
Rot. Bonds3

About methyl 4-pyridin-3-yloxycyclohexane-1-carboxylate

methyl 4-pyridin-3-yloxycyclohexane-1-carboxylate (PubChem CID 67421433) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 4-pyridin-3-yloxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-pyridin-3-yloxycyclohexane-1-carboxylate
PubChem CID67421433
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 4-pyridin-3-yloxycyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C13H17NO3/c1-16-13(15)10-4-6-11(7-5-10)17-12-3-2-8-14-9-12/h2-3,8-11H,4-7H2,1H3
InChIKeyOVJULITXCQRNNY-UHFFFAOYSA-N
XLogP2.19
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,4S)-4-pyridin-3-yloxypyrrolidine-2-carboxylate;dihydrochloride
CID 46735771
3-(3-methoxycyclopentyl)oxypyridine
CID 175909787
3-cycloheptyloxypyridine
CID 112558615
methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate
CID 115617333
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
methyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate
CID 57169816
pyridin-3-yl cyclohexanecarboxylate
CID 151250371
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
3-piperidin-4-yloxypyridine;dihydrochloride
CID 22989727
(2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198721
[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone;dihydrochloride
CID 155939898
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130

Frequently Asked Questions

What is the IUPAC name of methyl 4-pyridin-3-yloxycyclohexane-1-carboxylate?
The IUPAC name of methyl 4-pyridin-3-yloxycyclohexane-1-carboxylate (CID 67421433) is methyl 4-pyridin-3-yloxycyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-pyridin-3-yloxycyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-pyridin-3-yloxycyclohexane-1-carboxylate is COC(=O)C1CCC(Oc2cccnc2)CC1.
What is the InChIKey of methyl 4-pyridin-3-yloxycyclohexane-1-carboxylate?
The InChIKey is OVJULITXCQRNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-13(15)10-4-6-11(7-5-10)17-12-3-2-8-14-9-12/h2-3,8-11H,4-7H2,1H3.
What are the key properties of methyl 4-pyridin-3-yloxycyclohexane-1-carboxylate?
methyl 4-pyridin-3-yloxycyclohexane-1-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-pyridin-3-yloxycyclohexane-1-carboxylate is sourced from PubChem (CID 67421433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).