4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol

C26H30NO+ — CID 3897493

IUPAC4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol
SMILESCCC1C(c2ccccc2)[NH2+]C(c2ccccc2)CC1(O)Cc1ccccc1
InChIInChI=1S/C26H29NO/c1-2-23-25(22-16-10-5-11-17-22)27-24(21-14-8-4-9-15-21)19-26(23,28)18-20-12-6-3-7-13-20/h3-17,23-25,27-28H,2,18-19H2,1H3/p+1
InChIKeyKIXGFZRPUASEFM-UHFFFAOYSA-O
MW372.53 g/mol
LogP4.44
Rot. Bonds5

About 4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol

4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol (PubChem CID 3897493) has the molecular formula C26H30NO+ and a molecular weight of 372.53 g/mol. Its IUPAC name is 4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol
PubChem CID3897493
Molecular FormulaC26H30NO+
Molecular Weight372.53 g/mol
Exact Mass372.23
IUPAC Name4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol
SMILESCCC1C(c2ccccc2)[NH2+]C(c2ccccc2)CC1(O)Cc1ccccc1
InChIInChI=1S/C26H29NO/c1-2-23-25(22-16-10-5-11-17-22)27-24(21-14-8-4-9-15-21)19-26(23,28)18-20-12-6-3-7-13-20/h3-17,23-25,27-28H,2,18-19H2,1H3/p+1
InChIKeyKIXGFZRPUASEFM-UHFFFAOYSA-O
XLogP4.44
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol?
The IUPAC name of 4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol (CID 3897493) is 4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol.
What is the SMILES notation for 4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol?
The canonical SMILES for 4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol is CCC1C(c2ccccc2)[NH2+]C(c2ccccc2)CC1(O)Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol?
The InChIKey is KIXGFZRPUASEFM-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H29NO/c1-2-23-25(22-16-10-5-11-17-22)27-24(21-14-8-4-9-15-21)19-26(23,28)18-20-12-6-3-7-13-20/h3-17,23-25,27-28H,2,18-19H2,1H3/p+1.
What are the key properties of 4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol?
4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol has a molecular weight of 372.53 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol is sourced from PubChem (CID 3897493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).