1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;hydrochloride

C16H24ClNO3 — CID 6603063

IUPAC1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;hydrochloride
SMILESCOc1ccc(CC(=O)OC(C)CN2CCCC2)cc1.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-13(12-17-9-3-4-10-17)20-16(18)11-14-5-7-15(19-2)8-6-14;/h5-8,13H,3-4,9-12H2,1-2H3;1H
InChIKeyCJOVXQWNXBEZDQ-UHFFFAOYSA-N
MW313.82 g/mol
LogP2.69
Rot. Bonds6

About 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;hydrochloride

1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;hydrochloride (PubChem CID 6603063) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;hydrochloride.

Molecular Properties

Compound Name1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;hydrochloride
PubChem CID6603063
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Name1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;hydrochloride
SMILESCOc1ccc(CC(=O)OC(C)CN2CCCC2)cc1.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-13(12-17-9-3-4-10-17)20-16(18)11-14-5-7-15(19-2)8-6-14;/h5-8,13H,3-4,9-12H2,1-2H3;1H
InChIKeyCJOVXQWNXBEZDQ-UHFFFAOYSA-N
XLogP2.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;hydrochloride?
The IUPAC name of 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;hydrochloride (CID 6603063) is 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;hydrochloride.
What is the SMILES notation for 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;hydrochloride?
The canonical SMILES for 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;hydrochloride is COc1ccc(CC(=O)OC(C)CN2CCCC2)cc1.Cl.
What is the InChIKey of 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;hydrochloride?
The InChIKey is CJOVXQWNXBEZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3.ClH/c1-13(12-17-9-3-4-10-17)20-16(18)11-14-5-7-15(19-2)8-6-14;/h5-8,13H,3-4,9-12H2,1-2H3;1H.
What are the key properties of 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;hydrochloride?
1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;hydrochloride has a molecular weight of 313.82 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;hydrochloride is sourced from PubChem (CID 6603063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).