2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol

C14H21NO — CID 115373791

IUPAC2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol
SMILESCc1cncc(C(O)CC2CCCCC2)c1
InChIInChI=1S/C14H21NO/c1-11-7-13(10-15-9-11)14(16)8-12-5-3-2-4-6-12/h7,9-10,12,14,16H,2-6,8H2,1H3
InChIKeySVCXLWOVWMFRNT-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.39
Rot. Bonds3

About 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol

2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol (PubChem CID 115373791) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol
PubChem CID115373791
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol
SMILESCc1cncc(C(O)CC2CCCCC2)c1
InChIInChI=1S/C14H21NO/c1-11-7-13(10-15-9-11)14(16)8-12-5-3-2-4-6-12/h7,9-10,12,14,16H,2-6,8H2,1H3
InChIKeySVCXLWOVWMFRNT-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol (CID 115373791) is 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol is Cc1cncc(C(O)CC2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol?
The InChIKey is SVCXLWOVWMFRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-7-13(10-15-9-11)14(16)8-12-5-3-2-4-6-12/h7,9-10,12,14,16H,2-6,8H2,1H3.
What are the key properties of 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol?
2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol has a molecular weight of 219.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 115373791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).