methyl 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxylate

C15H21NO3 — CID 59152214

IUPACmethyl 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(Cc2cccc(C)n2)CCC(O)CC1
InChIInChI=1S/C15H21NO3/c1-11-4-3-5-12(16-11)10-15(14(18)19-2)8-6-13(17)7-9-15/h3-5,13,17H,6-10H2,1-2H3
InChIKeyVCDDBIQBPKFUCU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.03
Rot. Bonds3

About methyl 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxylate

methyl 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxylate (PubChem CID 59152214) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxylate
PubChem CID59152214
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(Cc2cccc(C)n2)CCC(O)CC1
InChIInChI=1S/C15H21NO3/c1-11-4-3-5-12(16-11)10-15(14(18)19-2)8-6-13(17)7-9-15/h3-5,13,17H,6-10H2,1-2H3
InChIKeyVCDDBIQBPKFUCU-UHFFFAOYSA-N
XLogP2.03
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxylate (CID 59152214) is methyl 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxylate is COC(=O)C1(Cc2cccc(C)n2)CCC(O)CC1.
What is the InChIKey of methyl 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxylate?
The InChIKey is VCDDBIQBPKFUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-4-3-5-12(16-11)10-15(14(18)19-2)8-6-13(17)7-9-15/h3-5,13,17H,6-10H2,1-2H3.
What are the key properties of methyl 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxylate?
methyl 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 59152214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).