2,6-diphenyl-3-propylpiperidin-1-ium-4-ol

C20H26NO+ — CID 3611514

IUPAC2,6-diphenyl-3-propylpiperidin-1-ium-4-ol
SMILESCCCC1C(O)CC(c2ccccc2)[NH2+]C1c1ccccc1
InChIInChI=1S/C20H25NO/c1-2-9-17-19(22)14-18(15-10-5-3-6-11-15)21-20(17)16-12-7-4-8-13-16/h3-8,10-13,17-22H,2,9,14H2,1H3/p+1
InChIKeyYVHNHXUETQZHOA-UHFFFAOYSA-O
MW296.43 g/mol
LogP3.21
Rot. Bonds4

About 2,6-diphenyl-3-propylpiperidin-1-ium-4-ol

2,6-diphenyl-3-propylpiperidin-1-ium-4-ol (PubChem CID 3611514) has the molecular formula C20H26NO+ and a molecular weight of 296.43 g/mol. Its IUPAC name is 2,6-diphenyl-3-propylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name2,6-diphenyl-3-propylpiperidin-1-ium-4-ol
PubChem CID3611514
Molecular FormulaC20H26NO+
Molecular Weight296.43 g/mol
Exact Mass296.20
IUPAC Name2,6-diphenyl-3-propylpiperidin-1-ium-4-ol
SMILESCCCC1C(O)CC(c2ccccc2)[NH2+]C1c1ccccc1
InChIInChI=1S/C20H25NO/c1-2-9-17-19(22)14-18(15-10-5-3-6-11-15)21-20(17)16-12-7-4-8-13-16/h3-8,10-13,17-22H,2,9,14H2,1H3/p+1
InChIKeyYVHNHXUETQZHOA-UHFFFAOYSA-O
XLogP3.21
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-3-propylpiperidin-1-ium-4-ol?
The IUPAC name of 2,6-diphenyl-3-propylpiperidin-1-ium-4-ol (CID 3611514) is 2,6-diphenyl-3-propylpiperidin-1-ium-4-ol.
What is the SMILES notation for 2,6-diphenyl-3-propylpiperidin-1-ium-4-ol?
The canonical SMILES for 2,6-diphenyl-3-propylpiperidin-1-ium-4-ol is CCCC1C(O)CC(c2ccccc2)[NH2+]C1c1ccccc1.
What is the InChIKey of 2,6-diphenyl-3-propylpiperidin-1-ium-4-ol?
The InChIKey is YVHNHXUETQZHOA-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25NO/c1-2-9-17-19(22)14-18(15-10-5-3-6-11-15)21-20(17)16-12-7-4-8-13-16/h3-8,10-13,17-22H,2,9,14H2,1H3/p+1.
What are the key properties of 2,6-diphenyl-3-propylpiperidin-1-ium-4-ol?
2,6-diphenyl-3-propylpiperidin-1-ium-4-ol has a molecular weight of 296.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-3-propylpiperidin-1-ium-4-ol is sourced from PubChem (CID 3611514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).