4-ethyl-2-(pyridin-4-ylmethyl)cyclohexan-1-ol

C14H21NO — CID 79422812

IUPAC4-ethyl-2-(pyridin-4-ylmethyl)cyclohexan-1-ol
SMILESCCC1CCC(O)C(Cc2ccncc2)C1
InChIInChI=1S/C14H21NO/c1-2-11-3-4-14(16)13(9-11)10-12-5-7-15-8-6-12/h5-8,11,13-14,16H,2-4,9-10H2,1H3
InChIKeyLQEKZIUUZBBUAC-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.81
Rot. Bonds3

About 4-ethyl-2-(pyridin-4-ylmethyl)cyclohexan-1-ol

4-ethyl-2-(pyridin-4-ylmethyl)cyclohexan-1-ol (PubChem CID 79422812) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-ethyl-2-(pyridin-4-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-(pyridin-4-ylmethyl)cyclohexan-1-ol
PubChem CID79422812
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-ethyl-2-(pyridin-4-ylmethyl)cyclohexan-1-ol
SMILESCCC1CCC(O)C(Cc2ccncc2)C1
InChIInChI=1S/C14H21NO/c1-2-11-3-4-14(16)13(9-11)10-12-5-7-15-8-6-12/h5-8,11,13-14,16H,2-4,9-10H2,1H3
InChIKeyLQEKZIUUZBBUAC-UHFFFAOYSA-N
XLogP2.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(pyridin-4-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-(pyridin-4-ylmethyl)cyclohexan-1-ol (CID 79422812) is 4-ethyl-2-(pyridin-4-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-(pyridin-4-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-(pyridin-4-ylmethyl)cyclohexan-1-ol is CCC1CCC(O)C(Cc2ccncc2)C1.
What is the InChIKey of 4-ethyl-2-(pyridin-4-ylmethyl)cyclohexan-1-ol?
The InChIKey is LQEKZIUUZBBUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-11-3-4-14(16)13(9-11)10-12-5-7-15-8-6-12/h5-8,11,13-14,16H,2-4,9-10H2,1H3.
What are the key properties of 4-ethyl-2-(pyridin-4-ylmethyl)cyclohexan-1-ol?
4-ethyl-2-(pyridin-4-ylmethyl)cyclohexan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(pyridin-4-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 79422812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).