1-(4-methyl-2-pyridinyl)tridecan-1-ol

C19H33NO — CID 63840083

IUPAC1-(4-methyl-2-pyridinyl)tridecan-1-ol
SMILESCCCCCCCCCCCCC(O)c1cc(C)ccn1
InChIInChI=1S/C19H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-19(21)18-16-17(2)14-15-20-18/h14-16,19,21H,3-13H2,1-2H3
InChIKeyRLQDIBRRCOFUFR-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.73
Rot. Bonds12

About 1-(4-methyl-2-pyridinyl)tridecan-1-ol

1-(4-methyl-2-pyridinyl)tridecan-1-ol (PubChem CID 63840083) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridinyl)tridecan-1-ol.

Molecular Properties

Compound Name1-(4-methyl-2-pyridinyl)tridecan-1-ol
PubChem CID63840083
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(4-methyl-2-pyridinyl)tridecan-1-ol
SMILESCCCCCCCCCCCCC(O)c1cc(C)ccn1
InChIInChI=1S/C19H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-19(21)18-16-17(2)14-15-20-18/h14-16,19,21H,3-13H2,1-2H3
InChIKeyRLQDIBRRCOFUFR-UHFFFAOYSA-N
XLogP5.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine
CID 63839591
4-methyl-2-(1-phenyltridecyl)pyridine
CID 174881850
3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol
CID 130153201
1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine
CID 63840406
1-(2-methylpyrimidin-4-yl)tridecan-1-ol
CID 115528032
1-(2-methylpyrimidin-4-yl)octan-1-ol
CID 115527924
2-amino-1-(4-methyl-2-pyridinyl)ethanol;dihydrochloride
CID 71742337
(1S)-1-(4-methyl-2-pyridinyl)ethanol
CID 64712746
1-(3-methylphenyl)decan-1-ol
CID 63411280
ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate
CID 90379419
2-[(1R)-1-hydroxyundecyl]-4-methylphenol
CID 98151788
1-(4-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 55257533

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridinyl)tridecan-1-ol?
The IUPAC name of 1-(4-methyl-2-pyridinyl)tridecan-1-ol (CID 63840083) is 1-(4-methyl-2-pyridinyl)tridecan-1-ol.
What is the SMILES notation for 1-(4-methyl-2-pyridinyl)tridecan-1-ol?
The canonical SMILES for 1-(4-methyl-2-pyridinyl)tridecan-1-ol is CCCCCCCCCCCCC(O)c1cc(C)ccn1.
What is the InChIKey of 1-(4-methyl-2-pyridinyl)tridecan-1-ol?
The InChIKey is RLQDIBRRCOFUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-19(21)18-16-17(2)14-15-20-18/h14-16,19,21H,3-13H2,1-2H3.
What are the key properties of 1-(4-methyl-2-pyridinyl)tridecan-1-ol?
1-(4-methyl-2-pyridinyl)tridecan-1-ol has a molecular weight of 291.48 g/mol, XLogP of 5.73, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyridinyl)tridecan-1-ol is sourced from PubChem (CID 63840083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).