6-methyl-1-pyridin-4-ylheptan-3-ol

C13H21NO — CID 105085467

IUPAC6-methyl-1-pyridin-4-ylheptan-3-ol
SMILESCC(C)CCC(O)CCc1ccncc1
InChIInChI=1S/C13H21NO/c1-11(2)3-5-13(15)6-4-12-7-9-14-10-8-12/h7-11,13,15H,3-6H2,1-2H3
InChIKeyNQYGRUFCPYTHPQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.81
Rot. Bonds6

About 6-methyl-1-pyridin-4-ylheptan-3-ol

6-methyl-1-pyridin-4-ylheptan-3-ol (PubChem CID 105085467) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-methyl-1-pyridin-4-ylheptan-3-ol.

Molecular Properties

Compound Name6-methyl-1-pyridin-4-ylheptan-3-ol
PubChem CID105085467
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name6-methyl-1-pyridin-4-ylheptan-3-ol
SMILESCC(C)CCC(O)CCc1ccncc1
InChIInChI=1S/C13H21NO/c1-11(2)3-5-13(15)6-4-12-7-9-14-10-8-12/h7-11,13,15H,3-6H2,1-2H3
InChIKeyNQYGRUFCPYTHPQ-UHFFFAOYSA-N
XLogP2.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-pyridin-4-ylbutan-2-ol
CID 79422011
4-(3,7-dimethyloctyl)pyridine
CID 139896876
1-ethoxy-4-pyridin-4-ylbutan-2-ol
CID 105111732
4-pyridin-4-ylbutan-2-amine;hydrobromide
CID 122657673
1-(5-ethylthiophen-2-yl)-4-pyridin-4-ylbutan-2-ol
CID 105087600
1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-4-ylbutan-2-ol
CID 105107794
6-methyl-2-pyridin-4-ylheptan-3-ol
CID 66460886
N,5-dimethyl-1-pyridin-4-ylhexan-3-amine
CID 105082999
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 105121810
N-methyl-1,5-dipyridin-4-ylpentan-3-amine
CID 11253852

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-pyridin-4-ylheptan-3-ol?
The IUPAC name of 6-methyl-1-pyridin-4-ylheptan-3-ol (CID 105085467) is 6-methyl-1-pyridin-4-ylheptan-3-ol.
What is the SMILES notation for 6-methyl-1-pyridin-4-ylheptan-3-ol?
The canonical SMILES for 6-methyl-1-pyridin-4-ylheptan-3-ol is CC(C)CCC(O)CCc1ccncc1.
What is the InChIKey of 6-methyl-1-pyridin-4-ylheptan-3-ol?
The InChIKey is NQYGRUFCPYTHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)3-5-13(15)6-4-12-7-9-14-10-8-12/h7-11,13,15H,3-6H2,1-2H3.
What are the key properties of 6-methyl-1-pyridin-4-ylheptan-3-ol?
6-methyl-1-pyridin-4-ylheptan-3-ol has a molecular weight of 207.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-pyridin-4-ylheptan-3-ol is sourced from PubChem (CID 105085467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).