1-(3-methoxy-2-pyridinyl)-3,4-dimethylcyclohexan-1-ol

C14H21NO2 — CID 114053631

IUPAC1-(3-methoxy-2-pyridinyl)-3,4-dimethylcyclohexan-1-ol
SMILESCOc1cccnc1C1(O)CCC(C)C(C)C1
InChIInChI=1S/C14H21NO2/c1-10-6-7-14(16,9-11(10)2)13-12(17-3)5-4-8-15-13/h4-5,8,10-11,16H,6-7,9H2,1-3H3
InChIKeyVAEPNUZNFPMGCK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.73
Rot. Bonds2

About 1-(3-methoxy-2-pyridinyl)-3,4-dimethylcyclohexan-1-ol

1-(3-methoxy-2-pyridinyl)-3,4-dimethylcyclohexan-1-ol (PubChem CID 114053631) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(3-methoxy-2-pyridinyl)-3,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-methoxy-2-pyridinyl)-3,4-dimethylcyclohexan-1-ol
PubChem CID114053631
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(3-methoxy-2-pyridinyl)-3,4-dimethylcyclohexan-1-ol
SMILESCOc1cccnc1C1(O)CCC(C)C(C)C1
InChIInChI=1S/C14H21NO2/c1-10-6-7-14(16,9-11(10)2)13-12(17-3)5-4-8-15-13/h4-5,8,10-11,16H,6-7,9H2,1-3H3
InChIKeyVAEPNUZNFPMGCK-UHFFFAOYSA-N
XLogP2.73
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-pyridinyl)-3,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(3-methoxy-2-pyridinyl)-3,4-dimethylcyclohexan-1-ol (CID 114053631) is 1-(3-methoxy-2-pyridinyl)-3,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-methoxy-2-pyridinyl)-3,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(3-methoxy-2-pyridinyl)-3,4-dimethylcyclohexan-1-ol is COc1cccnc1C1(O)CCC(C)C(C)C1.
What is the InChIKey of 1-(3-methoxy-2-pyridinyl)-3,4-dimethylcyclohexan-1-ol?
The InChIKey is VAEPNUZNFPMGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-6-7-14(16,9-11(10)2)13-12(17-3)5-4-8-15-13/h4-5,8,10-11,16H,6-7,9H2,1-3H3.
What are the key properties of 1-(3-methoxy-2-pyridinyl)-3,4-dimethylcyclohexan-1-ol?
1-(3-methoxy-2-pyridinyl)-3,4-dimethylcyclohexan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-pyridinyl)-3,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 114053631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).