2-methyl-1-(5-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-ol

C16H26N2O — CID 115374171

IUPAC2-methyl-1-(5-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)c1cncc(C)c1)N1CCCCC1
InChIInChI=1S/C16H26N2O/c1-4-16(3,18-8-6-5-7-9-18)15(19)14-10-13(2)11-17-12-14/h10-12,15,19H,4-9H2,1-3H3
InChIKeyJURLVIOCJSUDBQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.08
Rot. Bonds4

About 2-methyl-1-(5-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-ol

2-methyl-1-(5-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-ol (PubChem CID 115374171) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-1-(5-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(5-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-ol
PubChem CID115374171
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methyl-1-(5-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)c1cncc(C)c1)N1CCCCC1
InChIInChI=1S/C16H26N2O/c1-4-16(3,18-8-6-5-7-9-18)15(19)14-10-13(2)11-17-12-14/h10-12,15,19H,4-9H2,1-3H3
InChIKeyJURLVIOCJSUDBQ-UHFFFAOYSA-N
XLogP3.08
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79065583
2-methyl-1-(5-methyl-3-pyridinyl)-2-pyrrolidin-1-ylpropan-1-ol
CID 115374168
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79704324
1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79064831
2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol
CID 79068633
1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065290
2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol
CID 79060249
2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol
CID 115373791
2-(diethylamino)-2-ethyl-1-(5-methyl-3-pyridinyl)butan-1-ol
CID 115374174
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79705436
2-(dimethylamino)-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol
CID 115374166
2-methoxy-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol
CID 115374188

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-ol?
The IUPAC name of 2-methyl-1-(5-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-ol (CID 115374171) is 2-methyl-1-(5-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-ol.
What is the SMILES notation for 2-methyl-1-(5-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-ol?
The canonical SMILES for 2-methyl-1-(5-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-ol is CCC(C)(C(O)c1cncc(C)c1)N1CCCCC1.
What is the InChIKey of 2-methyl-1-(5-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-ol?
The InChIKey is JURLVIOCJSUDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-16(3,18-8-6-5-7-9-18)15(19)14-10-13(2)11-17-12-14/h10-12,15,19H,4-9H2,1-3H3.
What are the key properties of 2-methyl-1-(5-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-ol?
2-methyl-1-(5-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-ol is sourced from PubChem (CID 115374171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).