1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol

C13H20N2O2 — CID 107407374

IUPAC1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol
SMILESCOc1cccnc1N1CCCC(C)(O)CC1
InChIInChI=1S/C13H20N2O2/c1-13(16)6-4-9-15(10-7-13)12-11(17-2)5-3-8-14-12/h3,5,8,16H,4,6-7,9-10H2,1-2H3
InChIKeyABEWYMFKENOUQE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.83
Rot. Bonds2

About 1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol

1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol (PubChem CID 107407374) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol
PubChem CID107407374
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol
SMILESCOc1cccnc1N1CCCC(C)(O)CC1
InChIInChI=1S/C13H20N2O2/c1-13(16)6-4-9-15(10-7-13)12-11(17-2)5-3-8-14-12/h3,5,8,16H,4,6-7,9-10H2,1-2H3
InChIKeyABEWYMFKENOUQE-UHFFFAOYSA-N
XLogP1.83
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]azepan-4-ol
CID 107407458
1-[2-[(1S)-1-hydroxyethyl]-3-methoxyphenyl]-4-methylazepan-4-ol
CID 107405213
1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 176933932
1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol
CID 107407376
3-methoxy-2-(4-methylpiperidin-1-yl)pyridine
CID 155975394
2-(3,3-difluoroazetidin-1-yl)-3-methoxypyridine
CID 175648008
1-(5-chloro-2-methoxypyrimidin-4-yl)-4-methylazepan-4-ol
CID 107407533
ethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate
CID 107407274
1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
CID 171335865
1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol
CID 113392759
1-furo[3,2-c]pyridin-4-yl-4-methylazepan-4-ol
CID 107407467
3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine
CID 163345314

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol?
The IUPAC name of 1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol (CID 107407374) is 1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol is COc1cccnc1N1CCCC(C)(O)CC1.
What is the InChIKey of 1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol?
The InChIKey is ABEWYMFKENOUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(16)6-4-9-15(10-7-13)12-11(17-2)5-3-8-14-12/h3,5,8,16H,4,6-7,9-10H2,1-2H3.
What are the key properties of 1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol?
1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol has a molecular weight of 236.31 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol is sourced from PubChem (CID 107407374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).