(1-methylpiperidin-4-yl) 2-(1,1-diphenylpropoxy)acetate;hydrochloride

C23H30ClNO3 — CID 67409699

IUPAC(1-methylpiperidin-4-yl) 2-(1,1-diphenylpropoxy)acetate;hydrochloride
SMILESCCC(OCC(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C23H29NO3.ClH/c1-3-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)26-18-22(25)27-21-14-16-24(2)17-15-21;/h4-13,21H,3,14-18H2,1-2H3;1H
InChIKeySMAPETDENWTQTF-UHFFFAOYSA-N
MW403.95 g/mol
LogP4.42
Rot. Bonds7

About (1-methylpiperidin-4-yl) 2-(1,1-diphenylpropoxy)acetate;hydrochloride

(1-methylpiperidin-4-yl) 2-(1,1-diphenylpropoxy)acetate;hydrochloride (PubChem CID 67409699) has the molecular formula C23H30ClNO3 and a molecular weight of 403.95 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 2-(1,1-diphenylpropoxy)acetate;hydrochloride.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 2-(1,1-diphenylpropoxy)acetate;hydrochloride
PubChem CID67409699
Molecular FormulaC23H30ClNO3
Molecular Weight403.95 g/mol
Exact Mass403.19
IUPAC Name(1-methylpiperidin-4-yl) 2-(1,1-diphenylpropoxy)acetate;hydrochloride
SMILESCCC(OCC(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C23H29NO3.ClH/c1-3-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)26-18-22(25)27-21-14-16-24(2)17-15-21;/h4-13,21H,3,14-18H2,1-2H3;1H
InChIKeySMAPETDENWTQTF-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (1-methylpiperidin-4-yl) carbonate
CID 58676243
(1-methylpyrrolidin-3-yl) 2-phenylacetate
CID 11127780
(1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate
CID 174486907
(1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate
CID 61284960
[1-cyclopentyl-2-(1-methylpiperidin-4-yl)oxy-2-oxo-1-phenylethyl] benzoate;hydrochloride
CID 3047394
2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 39203185
2-(1,1-diphenylpropoxy)ethyl propanoate
CID 174801671
bis(1-methylpiperidin-4-yl) carbonate;hydrochloride
CID 175100790
(1-methylpiperidin-4-yl) 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
CID 122668863
2-(1-methylpiperidin-4-yl)-1,1-diphenylethanol;hydrochloride
CID 54609205
(1-methylpiperidin-4-yl) (2R)-2-(1-hydroxycyclohexyl)-2-phenylpropanoate
CID 97304408
(1-ethoxy-1-phenylpropyl)benzene;3-phenylpentan-3-ol
CID 67792118

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 2-(1,1-diphenylpropoxy)acetate;hydrochloride?
The IUPAC name of (1-methylpiperidin-4-yl) 2-(1,1-diphenylpropoxy)acetate;hydrochloride (CID 67409699) is (1-methylpiperidin-4-yl) 2-(1,1-diphenylpropoxy)acetate;hydrochloride.
What is the SMILES notation for (1-methylpiperidin-4-yl) 2-(1,1-diphenylpropoxy)acetate;hydrochloride?
The canonical SMILES for (1-methylpiperidin-4-yl) 2-(1,1-diphenylpropoxy)acetate;hydrochloride is CCC(OCC(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of (1-methylpiperidin-4-yl) 2-(1,1-diphenylpropoxy)acetate;hydrochloride?
The InChIKey is SMAPETDENWTQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3.ClH/c1-3-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)26-18-22(25)27-21-14-16-24(2)17-15-21;/h4-13,21H,3,14-18H2,1-2H3;1H.
What are the key properties of (1-methylpiperidin-4-yl) 2-(1,1-diphenylpropoxy)acetate;hydrochloride?
(1-methylpiperidin-4-yl) 2-(1,1-diphenylpropoxy)acetate;hydrochloride has a molecular weight of 403.95 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 2-(1,1-diphenylpropoxy)acetate;hydrochloride is sourced from PubChem (CID 67409699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).