4-(2-benzhydryloxyethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-3-ol

C28H33NO3 — CID 74937017

IUPAC4-(2-benzhydryloxyethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-3-ol
SMILESOC(CN1CCC(CCOC(c2ccccc2)c2ccccc2)C(O)C1)c1ccccc1
InChIInChI=1S/C28H33NO3/c30-26(22-10-4-1-5-11-22)20-29-18-16-23(27(31)21-29)17-19-32-28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,23,26-28,30-31H,16-21H2
InChIKeyNAYMWGFJSZOREI-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.60
Rot. Bonds9

About 4-(2-benzhydryloxyethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-3-ol

4-(2-benzhydryloxyethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-3-ol (PubChem CID 74937017) has the molecular formula C28H33NO3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-3-ol.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-3-ol
PubChem CID74937017
Molecular FormulaC28H33NO3
Molecular Weight431.58 g/mol
Exact Mass431.25
IUPAC Name4-(2-benzhydryloxyethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-3-ol
SMILESOC(CN1CCC(CCOC(c2ccccc2)c2ccccc2)C(O)C1)c1ccccc1
InChIInChI=1S/C28H33NO3/c30-26(22-10-4-1-5-11-22)20-29-18-16-23(27(31)21-29)17-19-32-28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,23,26-28,30-31H,16-21H2
InChIKeyNAYMWGFJSZOREI-UHFFFAOYSA-N
XLogP4.60
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzhydryloxyethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-3-ol?
The IUPAC name of 4-(2-benzhydryloxyethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-3-ol (CID 74937017) is 4-(2-benzhydryloxyethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-3-ol.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-3-ol?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-3-ol is OC(CN1CCC(CCOC(c2ccccc2)c2ccccc2)C(O)C1)c1ccccc1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-3-ol?
The InChIKey is NAYMWGFJSZOREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO3/c30-26(22-10-4-1-5-11-22)20-29-18-16-23(27(31)21-29)17-19-32-28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,23,26-28,30-31H,16-21H2.
What are the key properties of 4-(2-benzhydryloxyethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-3-ol?
4-(2-benzhydryloxyethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-3-ol has a molecular weight of 431.58 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzhydryloxyethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-3-ol is sourced from PubChem (CID 74937017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).