4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-4-ylbutan-1-ol

C22H30N2O — CID 14810551

IUPAC4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-4-ylbutan-1-ol
SMILESCC1CCCC(C)N1CCCC(O)(c1ccccc1)c1ccncc1
InChIInChI=1S/C22H30N2O/c1-18-8-6-9-19(2)24(18)17-7-14-22(25,20-10-4-3-5-11-20)21-12-15-23-16-13-21/h3-5,10-13,15-16,18-19,25H,6-9,14,17H2,1-2H3
InChIKeyRJLWFRLLAXAHSU-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.36
Rot. Bonds6

About 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-4-ylbutan-1-ol

4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-4-ylbutan-1-ol (PubChem CID 14810551) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-4-ylbutan-1-ol.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-4-ylbutan-1-ol
PubChem CID14810551
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-4-ylbutan-1-ol
SMILESCC1CCCC(C)N1CCCC(O)(c1ccccc1)c1ccncc1
InChIInChI=1S/C22H30N2O/c1-18-8-6-9-19(2)24(18)17-7-14-22(25,20-10-4-3-5-11-20)21-12-15-23-16-13-21/h3-5,10-13,15-16,18-19,25H,6-9,14,17H2,1-2H3
InChIKeyRJLWFRLLAXAHSU-UHFFFAOYSA-N
XLogP4.36
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-4-ylbutan-1-ol?
The IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-4-ylbutan-1-ol (CID 14810551) is 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-4-ylbutan-1-ol.
What is the SMILES notation for 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-4-ylbutan-1-ol?
The canonical SMILES for 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-4-ylbutan-1-ol is CC1CCCC(C)N1CCCC(O)(c1ccccc1)c1ccncc1.
What is the InChIKey of 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-4-ylbutan-1-ol?
The InChIKey is RJLWFRLLAXAHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-18-8-6-9-19(2)24(18)17-7-14-22(25,20-10-4-3-5-11-20)21-12-15-23-16-13-21/h3-5,10-13,15-16,18-19,25H,6-9,14,17H2,1-2H3.
What are the key properties of 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-4-ylbutan-1-ol?
4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-4-ylbutan-1-ol has a molecular weight of 338.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-4-ylbutan-1-ol is sourced from PubChem (CID 14810551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).