(1-methylpiperidin-3-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride

C23H30ClNO3 — CID 44522613

IUPAC(1-methylpiperidin-3-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride
SMILESCCOC(C(=O)OCC1CCCN(C)C1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C23H29NO3.ClH/c1-3-27-23(20-12-6-4-7-13-20,21-14-8-5-9-15-21)22(25)26-18-19-11-10-16-24(2)17-19;/h4-9,12-15,19H,3,10-11,16-18H2,1-2H3;1H
InChIKeyVYNLFNUYMJOMFY-UHFFFAOYSA-N
MW403.95 g/mol
LogP4.27
Rot. Bonds7

About (1-methylpiperidin-3-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride

(1-methylpiperidin-3-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride (PubChem CID 44522613) has the molecular formula C23H30ClNO3 and a molecular weight of 403.95 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride
PubChem CID44522613
Molecular FormulaC23H30ClNO3
Molecular Weight403.95 g/mol
Exact Mass403.19
IUPAC Name(1-methylpiperidin-3-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride
SMILESCCOC(C(=O)OCC1CCCN(C)C1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C23H29NO3.ClH/c1-3-27-23(20-12-6-4-7-13-20,21-14-8-5-9-15-21)22(25)26-18-19-11-10-16-24(2)17-19;/h4-9,12-15,19H,3,10-11,16-18H2,1-2H3;1H
InChIKeyVYNLFNUYMJOMFY-UHFFFAOYSA-N
XLogP4.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride?
The IUPAC name of (1-methylpiperidin-3-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride (CID 44522613) is (1-methylpiperidin-3-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for (1-methylpiperidin-3-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride?
The canonical SMILES for (1-methylpiperidin-3-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride is CCOC(C(=O)OCC1CCCN(C)C1)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of (1-methylpiperidin-3-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride?
The InChIKey is VYNLFNUYMJOMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3.ClH/c1-3-27-23(20-12-6-4-7-13-20,21-14-8-5-9-15-21)22(25)26-18-19-11-10-16-24(2)17-19;/h4-9,12-15,19H,3,10-11,16-18H2,1-2H3;1H.
What are the key properties of (1-methylpiperidin-3-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride?
(1-methylpiperidin-3-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride has a molecular weight of 403.95 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 44522613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).