2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol

C17H28N2O — CID 82981092

IUPAC2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN2CCCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C17H28N2O/c1-13-7-8-16(20)15(18-13)12-19-10-5-6-14(9-11-19)17(2,3)4/h7-8,14,20H,5-6,9-12H2,1-4H3
InChIKeyKJNKKHYIHPZKHV-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.74
Rot. Bonds2

About 2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol

2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol (PubChem CID 82981092) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol
PubChem CID82981092
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN2CCCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C17H28N2O/c1-13-7-8-16(20)15(18-13)12-19-10-5-6-14(9-11-19)17(2,3)4/h7-8,14,20H,5-6,9-12H2,1-4H3
InChIKeyKJNKKHYIHPZKHV-UHFFFAOYSA-N
XLogP3.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-[(4-propan-2-ylazepan-1-yl)methyl]pyridin-3-ol
CID 82980583
6-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-3-ol
CID 82962048
2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82976559
2-[(3-ethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82977177
2-[(4-ethoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82982184
2-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 80550845
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
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 82979654
N-[(4S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]azepan-4-yl]-N-(pyrimidin-5-ylmethyl)acetamide
CID 129339986
2-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 97332182
(3S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97160125

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol (CID 82981092) is 2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CN2CCCC(C(C)(C)C)CC2)n1.
What is the InChIKey of 2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol?
The InChIKey is KJNKKHYIHPZKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-7-8-16(20)15(18-13)12-19-10-5-6-14(9-11-19)17(2,3)4/h7-8,14,20H,5-6,9-12H2,1-4H3.
What are the key properties of 2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol?
2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol has a molecular weight of 276.42 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 82981092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).