4-methyl-2-pyridin-4-ylhexan-3-ol

C12H19NO — CID 66461088

IUPAC4-methyl-2-pyridin-4-ylhexan-3-ol
SMILESCCC(C)C(O)C(C)c1ccncc1
InChIInChI=1S/C12H19NO/c1-4-9(2)12(14)10(3)11-5-7-13-8-6-11/h5-10,12,14H,4H2,1-3H3
InChIKeySVCIPIQCGLAFAC-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.59
Rot. Bonds4

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

4-methyl-2-pyridin-4-ylhexan-3-ol (PubChem CID 66461088) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-methyl-2-pyridin-4-ylhexan-3-ol.

Molecular Properties

Compound Name4-methyl-2-pyridin-4-ylhexan-3-ol
PubChem CID66461088
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-methyl-2-pyridin-4-ylhexan-3-ol
SMILESCCC(C)C(O)C(C)c1ccncc1
InChIInChI=1S/C12H19NO/c1-4-9(2)12(14)10(3)11-5-7-13-8-6-11/h5-10,12,14H,4H2,1-3H3
InChIKeySVCIPIQCGLAFAC-UHFFFAOYSA-N
XLogP2.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride
CID 171200287
3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol
CID 115880427
4-(4-bromo-3-methylbutan-2-yl)pyridine
CID 83929850
6-methyl-2-pyridin-4-ylheptan-3-ol
CID 66460886
N,5-dimethyl-2-pyridin-4-ylheptan-3-amine
CID 114875188
3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine
CID 43202307
ethyl 4-methyl-3-pyridin-4-ylhexanoate
CID 171748001
zinc tetrakis(4-pentan-3-ylpyridine)
CID 50909730
(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol
CID 75444116
(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519
N,5-dimethyl-2-pyridin-4-ylhexan-3-amine
CID 66447939
N-[(1R)-1-pyridin-4-ylpropyl]hydroxylamine
CID 130707242

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-4-ylhexan-3-ol?
The IUPAC name of 4-methyl-2-pyridin-4-ylhexan-3-ol (CID 66461088) is 4-methyl-2-pyridin-4-ylhexan-3-ol.
What is the SMILES notation for 4-methyl-2-pyridin-4-ylhexan-3-ol?
The canonical SMILES for 4-methyl-2-pyridin-4-ylhexan-3-ol is CCC(C)C(O)C(C)c1ccncc1.
What is the InChIKey of 4-methyl-2-pyridin-4-ylhexan-3-ol?
The InChIKey is SVCIPIQCGLAFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-9(2)12(14)10(3)11-5-7-13-8-6-11/h5-10,12,14H,4H2,1-3H3.
What are the key properties of 4-methyl-2-pyridin-4-ylhexan-3-ol?
4-methyl-2-pyridin-4-ylhexan-3-ol has a molecular weight of 193.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-4-ylhexan-3-ol is sourced from PubChem (CID 66461088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).