(1-methyl-4-phenylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride

C26H28ClNO2 — CID 3048627

IUPAC(1-methyl-4-phenylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride
SMILESCN1CCC(OC(=O)C(c2ccccc2)c2ccccc2)(c2ccccc2)CC1.Cl
InChIInChI=1S/C26H27NO2.ClH/c1-27-19-17-26(18-20-27,23-15-9-4-10-16-23)29-25(28)24(21-11-5-2-6-12-21)22-13-7-3-8-14-22;/h2-16,24H,17-20H2,1H3;1H
InChIKeyGBSIBTZJMPWWAV-UHFFFAOYSA-N
MW421.97 g/mol
LogP5.40
Rot. Bonds5

About (1-methyl-4-phenylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride

(1-methyl-4-phenylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride (PubChem CID 3048627) has the molecular formula C26H28ClNO2 and a molecular weight of 421.97 g/mol. Its IUPAC name is (1-methyl-4-phenylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Name(1-methyl-4-phenylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride
PubChem CID3048627
Molecular FormulaC26H28ClNO2
Molecular Weight421.97 g/mol
Exact Mass421.18
IUPAC Name(1-methyl-4-phenylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride
SMILESCN1CCC(OC(=O)C(c2ccccc2)c2ccccc2)(c2ccccc2)CC1.Cl
InChIInChI=1S/C26H27NO2.ClH/c1-27-19-17-26(18-20-27,23-15-9-4-10-16-23)29-25(28)24(21-11-5-2-6-12-21)22-13-7-3-8-14-22;/h2-16,24H,17-20H2,1H3;1H
InChIKeyGBSIBTZJMPWWAV-UHFFFAOYSA-N
XLogP5.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.97
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-phenylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride?
The IUPAC name of (1-methyl-4-phenylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride (CID 3048627) is (1-methyl-4-phenylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for (1-methyl-4-phenylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride?
The canonical SMILES for (1-methyl-4-phenylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride is CN1CCC(OC(=O)C(c2ccccc2)c2ccccc2)(c2ccccc2)CC1.Cl.
What is the InChIKey of (1-methyl-4-phenylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride?
The InChIKey is GBSIBTZJMPWWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2.ClH/c1-27-19-17-26(18-20-27,23-15-9-4-10-16-23)29-25(28)24(21-11-5-2-6-12-21)22-13-7-3-8-14-22;/h2-16,24H,17-20H2,1H3;1H.
What are the key properties of (1-methyl-4-phenylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride?
(1-methyl-4-phenylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride has a molecular weight of 421.97 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-phenylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 3048627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).