4-methyl-4-pyridin-3-ylpentan-2-ol

C11H17NO — CID 64716407

IUPAC4-methyl-4-pyridin-3-ylpentan-2-ol
SMILESCC(O)CC(C)(C)c1cccnc1
InChIInChI=1S/C11H17NO/c1-9(13)7-11(2,3)10-5-4-6-12-8-10/h4-6,8-9,13H,7H2,1-3H3
InChIKeyIAMYGHXMKCPHEX-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.13
Rot. Bonds3

About 4-methyl-4-pyridin-3-ylpentan-2-ol

4-methyl-4-pyridin-3-ylpentan-2-ol (PubChem CID 64716407) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-methyl-4-pyridin-3-ylpentan-2-ol.

Molecular Properties

Compound Name4-methyl-4-pyridin-3-ylpentan-2-ol
PubChem CID64716407
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-methyl-4-pyridin-3-ylpentan-2-ol
SMILESCC(O)CC(C)(C)c1cccnc1
InChIInChI=1S/C11H17NO/c1-9(13)7-11(2,3)10-5-4-6-12-8-10/h4-6,8-9,13H,7H2,1-3H3
InChIKeyIAMYGHXMKCPHEX-UHFFFAOYSA-N
XLogP2.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
3-methyl-2-pyridin-3-ylbutan-2-ol
CID 58641587
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
2-methyl-3-pyridin-3-ylpentan-3-ol
CID 60924070
2-methyl-2-pyridin-3-ylpropane-1,3-diol
CID 130130273
3-amino-2-pyridin-3-ylbutan-2-ol
CID 82414167
1-fluoro-2-pyridin-3-ylpropan-2-ol
CID 89407695
2,8-dimethyl-5-pyridin-3-ylnonan-5-ol
CID 21420922
2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115219667
N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206679
2-pyridin-3-ylpent-4-ene-2,3-diol
CID 130127864
2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine
CID 146668087

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-pyridin-3-ylpentan-2-ol?
The IUPAC name of 4-methyl-4-pyridin-3-ylpentan-2-ol (CID 64716407) is 4-methyl-4-pyridin-3-ylpentan-2-ol.
What is the SMILES notation for 4-methyl-4-pyridin-3-ylpentan-2-ol?
The canonical SMILES for 4-methyl-4-pyridin-3-ylpentan-2-ol is CC(O)CC(C)(C)c1cccnc1.
What is the InChIKey of 4-methyl-4-pyridin-3-ylpentan-2-ol?
The InChIKey is IAMYGHXMKCPHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(13)7-11(2,3)10-5-4-6-12-8-10/h4-6,8-9,13H,7H2,1-3H3.
What are the key properties of 4-methyl-4-pyridin-3-ylpentan-2-ol?
4-methyl-4-pyridin-3-ylpentan-2-ol has a molecular weight of 179.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-pyridin-3-ylpentan-2-ol is sourced from PubChem (CID 64716407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).