2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride

C21H26ClNO3 — CID 23724801

IUPAC2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride
SMILESCl.O=C(OCCN1CCCCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3.ClH/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19;/h1-2,4-7,10-13,24H,3,8-9,14-17H2;1H
InChIKeyZJVKLBBPLUXEAC-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.37
Rot. Bonds6

About 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride

2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride (PubChem CID 23724801) has the molecular formula C21H26ClNO3 and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride
PubChem CID23724801
Molecular FormulaC21H26ClNO3
Molecular Weight375.90 g/mol
Exact Mass375.16
IUPAC Name2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride
SMILESCl.O=C(OCCN1CCCCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3.ClH/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19;/h1-2,4-7,10-13,24H,3,8-9,14-17H2;1H
InChIKeyZJVKLBBPLUXEAC-UHFFFAOYSA-N
XLogP3.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride?
The IUPAC name of 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride (CID 23724801) is 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride?
The canonical SMILES for 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride is Cl.O=C(OCCN1CCCCC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride?
The InChIKey is ZJVKLBBPLUXEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3.ClH/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19;/h1-2,4-7,10-13,24H,3,8-9,14-17H2;1H.
What are the key properties of 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride?
2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 23724801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).