6-methyl-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyridin-3-ol

C16H27N3O — CID 79715932

IUPAC6-methyl-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CN(CC2CCNCC2)C(C)C)n1
InChIInChI=1S/C16H27N3O/c1-12(2)19(10-14-6-8-17-9-7-14)11-15-16(20)5-4-13(3)18-15/h4-5,12,14,17,20H,6-11H2,1-3H3
InChIKeyIDFZNOFXEZMVAF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.31
Rot. Bonds5

About 6-methyl-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyridin-3-ol

6-methyl-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyridin-3-ol (PubChem CID 79715932) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-methyl-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyridin-3-ol
PubChem CID79715932
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-methyl-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CN(CC2CCNCC2)C(C)C)n1
InChIInChI=1S/C16H27N3O/c1-12(2)19(10-14-6-8-17-9-7-14)11-15-16(20)5-4-13(3)18-15/h4-5,12,14,17,20H,6-11H2,1-3H3
InChIKeyIDFZNOFXEZMVAF-UHFFFAOYSA-N
XLogP2.31
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-3-ol
CID 82977420
2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 107692120
5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 79698878
N-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 79714663
N-[(3,4-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715630
6-methyl-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridin-3-ol
CID 106605471
2-[[cyclopentyl(methyl)amino]methyl]-6-methylpyridin-3-ol
CID 82975195
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715140
2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride
CID 129002660
N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715212
N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698883
3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79701981

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyridin-3-ol (CID 79715932) is 6-methyl-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyridin-3-ol is Cc1ccc(O)c(CN(CC2CCNCC2)C(C)C)n1.
What is the InChIKey of 6-methyl-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyridin-3-ol?
The InChIKey is IDFZNOFXEZMVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)19(10-14-6-8-17-9-7-14)11-15-16(20)5-4-13(3)18-15/h4-5,12,14,17,20H,6-11H2,1-3H3.
What are the key properties of 6-methyl-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyridin-3-ol?
6-methyl-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyridin-3-ol has a molecular weight of 277.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyridin-3-ol is sourced from PubChem (CID 79715932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).