pyridin-4-yl 2-cyclohexylacetate

C13H17NO2 — CID 67828041

IUPACpyridin-4-yl 2-cyclohexylacetate
SMILESO=C(CC1CCCCC1)Oc1ccncc1
InChIInChI=1S/C13H17NO2/c15-13(10-11-4-2-1-3-5-11)16-12-6-8-14-9-7-12/h6-9,11H,1-5,10H2
InChIKeyAQMBQGBYEDQBSV-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.96
Rot. Bonds3

About pyridin-4-yl 2-cyclohexylacetate

pyridin-4-yl 2-cyclohexylacetate (PubChem CID 67828041) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is pyridin-4-yl 2-cyclohexylacetate.

Molecular Properties

Compound Namepyridin-4-yl 2-cyclohexylacetate
PubChem CID67828041
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namepyridin-4-yl 2-cyclohexylacetate
SMILESO=C(CC1CCCCC1)Oc1ccncc1
InChIInChI=1S/C13H17NO2/c15-13(10-11-4-2-1-3-5-11)16-12-6-8-14-9-7-12/h6-9,11H,1-5,10H2
InChIKeyAQMBQGBYEDQBSV-UHFFFAOYSA-N
XLogP2.96
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-acetamidophenyl) 2-cyclohexylacetate
CID 51152581
[4-(2-cyclopentylacetyl)oxyphenyl]methyl 2-methylpropanoate
CID 171426102
1,3-benzoxazol-5-yl 2-cyclohexylacetate
CID 110494352
2-cyclopentyl-N-pyridin-4-ylacetamide
CID 11839759
2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 22585642
4-(2-cyclopentylethoxy)pyridine
CID 91320777
(3,5-dihydroxyphenyl) 2-[4-[2-(3,5-dihydroxyphenoxy)-2-oxoethyl]cyclohexyl]acetate
CID 67652637
(4-bromophenyl) 2-piperidin-4-ylacetate
CID 117125789
2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108728
N-(cyclohexylmethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide
CID 119070282
3-pyridin-3-ylpropyl 2-cyclohexylacetate
CID 78842305
2-cycloheptyl-1-pyridin-3-ylethanone
CID 114963158

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl 2-cyclohexylacetate?
The IUPAC name of pyridin-4-yl 2-cyclohexylacetate (CID 67828041) is pyridin-4-yl 2-cyclohexylacetate.
What is the SMILES notation for pyridin-4-yl 2-cyclohexylacetate?
The canonical SMILES for pyridin-4-yl 2-cyclohexylacetate is O=C(CC1CCCCC1)Oc1ccncc1.
What is the InChIKey of pyridin-4-yl 2-cyclohexylacetate?
The InChIKey is AQMBQGBYEDQBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(10-11-4-2-1-3-5-11)16-12-6-8-14-9-7-12/h6-9,11H,1-5,10H2.
What are the key properties of pyridin-4-yl 2-cyclohexylacetate?
pyridin-4-yl 2-cyclohexylacetate has a molecular weight of 219.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl 2-cyclohexylacetate is sourced from PubChem (CID 67828041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).