2-[(6-methoxy-2-pyridinyl)methyl]cycloheptan-1-ol

C14H21NO2 — CID 79423934

IUPAC2-[(6-methoxy-2-pyridinyl)methyl]cycloheptan-1-ol
SMILESCOc1cccc(CC2CCCCCC2O)n1
InChIInChI=1S/C14H21NO2/c1-17-14-9-5-7-12(15-14)10-11-6-3-2-4-8-13(11)16/h5,7,9,11,13,16H,2-4,6,8,10H2,1H3
InChIKeySGMYKBCDADZSAF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.57
Rot. Bonds3

About 2-[(6-methoxy-2-pyridinyl)methyl]cycloheptan-1-ol

2-[(6-methoxy-2-pyridinyl)methyl]cycloheptan-1-ol (PubChem CID 79423934) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(6-methoxy-2-pyridinyl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(6-methoxy-2-pyridinyl)methyl]cycloheptan-1-ol
PubChem CID79423934
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(6-methoxy-2-pyridinyl)methyl]cycloheptan-1-ol
SMILESCOc1cccc(CC2CCCCCC2O)n1
InChIInChI=1S/C14H21NO2/c1-17-14-9-5-7-12(15-14)10-11-6-3-2-4-8-13(11)16/h5,7,9,11,13,16H,2-4,6,8,10H2,1H3
InChIKeySGMYKBCDADZSAF-UHFFFAOYSA-N
XLogP2.57
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2-pyridinyl)methyl]cycloheptan-1-ol?
The IUPAC name of 2-[(6-methoxy-2-pyridinyl)methyl]cycloheptan-1-ol (CID 79423934) is 2-[(6-methoxy-2-pyridinyl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[(6-methoxy-2-pyridinyl)methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[(6-methoxy-2-pyridinyl)methyl]cycloheptan-1-ol is COc1cccc(CC2CCCCCC2O)n1.
What is the InChIKey of 2-[(6-methoxy-2-pyridinyl)methyl]cycloheptan-1-ol?
The InChIKey is SGMYKBCDADZSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-14-9-5-7-12(15-14)10-11-6-3-2-4-8-13(11)16/h5,7,9,11,13,16H,2-4,6,8,10H2,1H3.
What are the key properties of 2-[(6-methoxy-2-pyridinyl)methyl]cycloheptan-1-ol?
2-[(6-methoxy-2-pyridinyl)methyl]cycloheptan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2-pyridinyl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 79423934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).