2,5-dimethyl-3-pyridin-4-ylhexan-3-ol

C13H21NO — CID 58459872

IUPAC2,5-dimethyl-3-pyridin-4-ylhexan-3-ol
SMILESCC(C)CC(O)(c1ccncc1)C(C)C
InChIInChI=1S/C13H21NO/c1-10(2)9-13(15,11(3)4)12-5-7-14-8-6-12/h5-8,10-11,15H,9H2,1-4H3
InChIKeyKHMXXULXCWDAQZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.97
Rot. Bonds4

About 2,5-dimethyl-3-pyridin-4-ylhexan-3-ol

2,5-dimethyl-3-pyridin-4-ylhexan-3-ol (PubChem CID 58459872) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,5-dimethyl-3-pyridin-4-ylhexan-3-ol.

Molecular Properties

Compound Name2,5-dimethyl-3-pyridin-4-ylhexan-3-ol
PubChem CID58459872
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2,5-dimethyl-3-pyridin-4-ylhexan-3-ol
SMILESCC(C)CC(O)(c1ccncc1)C(C)C
InChIInChI=1S/C13H21NO/c1-10(2)9-13(15,11(3)4)12-5-7-14-8-6-12/h5-8,10-11,15H,9H2,1-4H3
InChIKeyKHMXXULXCWDAQZ-UHFFFAOYSA-N
XLogP2.97
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-hydroxy-2-methyl-1-pyridin-4-ylpropyl)-oxosulfanium
CID 174358146
2-methyl-3-[4-(trifluoromethyl)phenyl]pentan-3-ol
CID 62788141
4-(1,1-dimethoxy-2-methylpropyl)pyridine
CID 10888830
2-methyl-3-pyridin-3-ylpentan-3-ol
CID 60924070
1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol
CID 178019209
4-[2-[4-(2-methylpropyl)phenyl]propan-2-yl]pyridine
CID 154718340
3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid
CID 62397995
2-(2-methylpropylsulfanyl)-2-pyridin-4-ylpropanoic acid
CID 114994631
4-(2-pyridin-4-ylpropan-2-yl)pyridine
CID 20584229
tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride
CID 139134561
4-(2,3-dimethylbutan-2-yl)pyridine;methanethioamide
CID 142225906
2-[4-(pyridin-4-ylmethyl)phenyl]propan-2-ol
CID 90901602

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-pyridin-4-ylhexan-3-ol?
The IUPAC name of 2,5-dimethyl-3-pyridin-4-ylhexan-3-ol (CID 58459872) is 2,5-dimethyl-3-pyridin-4-ylhexan-3-ol.
What is the SMILES notation for 2,5-dimethyl-3-pyridin-4-ylhexan-3-ol?
The canonical SMILES for 2,5-dimethyl-3-pyridin-4-ylhexan-3-ol is CC(C)CC(O)(c1ccncc1)C(C)C.
What is the InChIKey of 2,5-dimethyl-3-pyridin-4-ylhexan-3-ol?
The InChIKey is KHMXXULXCWDAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)9-13(15,11(3)4)12-5-7-14-8-6-12/h5-8,10-11,15H,9H2,1-4H3.
What are the key properties of 2,5-dimethyl-3-pyridin-4-ylhexan-3-ol?
2,5-dimethyl-3-pyridin-4-ylhexan-3-ol has a molecular weight of 207.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-pyridin-4-ylhexan-3-ol is sourced from PubChem (CID 58459872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).