6-methyl-2-[(4-propan-2-ylazepan-1-yl)methyl]pyridin-3-ol

C16H26N2O — CID 82980583

IUPAC6-methyl-2-[(4-propan-2-ylazepan-1-yl)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CN2CCCC(C(C)C)CC2)n1
InChIInChI=1S/C16H26N2O/c1-12(2)14-5-4-9-18(10-8-14)11-15-16(19)7-6-13(3)17-15/h6-7,12,14,19H,4-5,8-11H2,1-3H3
InChIKeyALJSQOGDYSFVST-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.35
Rot. Bonds3

About 6-methyl-2-[(4-propan-2-ylazepan-1-yl)methyl]pyridin-3-ol

6-methyl-2-[(4-propan-2-ylazepan-1-yl)methyl]pyridin-3-ol (PubChem CID 82980583) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 6-methyl-2-[(4-propan-2-ylazepan-1-yl)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[(4-propan-2-ylazepan-1-yl)methyl]pyridin-3-ol
PubChem CID82980583
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name6-methyl-2-[(4-propan-2-ylazepan-1-yl)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CN2CCCC(C(C)C)CC2)n1
InChIInChI=1S/C16H26N2O/c1-12(2)14-5-4-9-18(10-8-14)11-15-16(19)7-6-13(3)17-15/h6-7,12,14,19H,4-5,8-11H2,1-3H3
InChIKeyALJSQOGDYSFVST-UHFFFAOYSA-N
XLogP3.35
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol
CID 82981092
6-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-3-ol
CID 82962048
2-[(3-ethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82977177
2-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 97332182
2-[(4-ethoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82982184
2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82976559
2-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 80550845
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 82979654
2-[(2-ethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82982636
6-methyl-2-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-3-ol
CID 56711478
2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82983735
2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 120781556

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(4-propan-2-ylazepan-1-yl)methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[(4-propan-2-ylazepan-1-yl)methyl]pyridin-3-ol (CID 82980583) is 6-methyl-2-[(4-propan-2-ylazepan-1-yl)methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[(4-propan-2-ylazepan-1-yl)methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[(4-propan-2-ylazepan-1-yl)methyl]pyridin-3-ol is Cc1ccc(O)c(CN2CCCC(C(C)C)CC2)n1.
What is the InChIKey of 6-methyl-2-[(4-propan-2-ylazepan-1-yl)methyl]pyridin-3-ol?
The InChIKey is ALJSQOGDYSFVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)14-5-4-9-18(10-8-14)11-15-16(19)7-6-13(3)17-15/h6-7,12,14,19H,4-5,8-11H2,1-3H3.
What are the key properties of 6-methyl-2-[(4-propan-2-ylazepan-1-yl)methyl]pyridin-3-ol?
6-methyl-2-[(4-propan-2-ylazepan-1-yl)methyl]pyridin-3-ol has a molecular weight of 262.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(4-propan-2-ylazepan-1-yl)methyl]pyridin-3-ol is sourced from PubChem (CID 82980583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).