3,4-dimethyl-1-(5-methyl-3-pyridinyl)cyclohexan-1-ol

C14H21NO — CID 115373730

IUPAC3,4-dimethyl-1-(5-methyl-3-pyridinyl)cyclohexan-1-ol
SMILESCc1cncc(C2(O)CCC(C)C(C)C2)c1
InChIInChI=1S/C14H21NO/c1-10-6-13(9-15-8-10)14(16)5-4-11(2)12(3)7-14/h6,8-9,11-12,16H,4-5,7H2,1-3H3
InChIKeyYQCSPSDXZAICNJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.03
Rot. Bonds1

About 3,4-dimethyl-1-(5-methyl-3-pyridinyl)cyclohexan-1-ol

3,4-dimethyl-1-(5-methyl-3-pyridinyl)cyclohexan-1-ol (PubChem CID 115373730) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3,4-dimethyl-1-(5-methyl-3-pyridinyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,4-dimethyl-1-(5-methyl-3-pyridinyl)cyclohexan-1-ol
PubChem CID115373730
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3,4-dimethyl-1-(5-methyl-3-pyridinyl)cyclohexan-1-ol
SMILESCc1cncc(C2(O)CCC(C)C(C)C2)c1
InChIInChI=1S/C14H21NO/c1-10-6-13(9-15-8-10)14(16)5-4-11(2)12(3)7-14/h6,8-9,11-12,16H,4-5,7H2,1-3H3
InChIKeyYQCSPSDXZAICNJ-UHFFFAOYSA-N
XLogP3.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(5-methyl-3-pyridinyl)cyclohexan-1-ol?
The IUPAC name of 3,4-dimethyl-1-(5-methyl-3-pyridinyl)cyclohexan-1-ol (CID 115373730) is 3,4-dimethyl-1-(5-methyl-3-pyridinyl)cyclohexan-1-ol.
What is the SMILES notation for 3,4-dimethyl-1-(5-methyl-3-pyridinyl)cyclohexan-1-ol?
The canonical SMILES for 3,4-dimethyl-1-(5-methyl-3-pyridinyl)cyclohexan-1-ol is Cc1cncc(C2(O)CCC(C)C(C)C2)c1.
What is the InChIKey of 3,4-dimethyl-1-(5-methyl-3-pyridinyl)cyclohexan-1-ol?
The InChIKey is YQCSPSDXZAICNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-6-13(9-15-8-10)14(16)5-4-11(2)12(3)7-14/h6,8-9,11-12,16H,4-5,7H2,1-3H3.
What are the key properties of 3,4-dimethyl-1-(5-methyl-3-pyridinyl)cyclohexan-1-ol?
3,4-dimethyl-1-(5-methyl-3-pyridinyl)cyclohexan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(5-methyl-3-pyridinyl)cyclohexan-1-ol is sourced from PubChem (CID 115373730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).