1-pyrrolidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride

C14H19Cl2NO2 — CID 17065294

IUPAC1-pyrrolidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride
SMILESCC(CN1CCCC1)OC(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H18ClNO2.ClH/c1-11(10-16-8-2-3-9-16)18-14(17)12-4-6-13(15)7-5-12;/h4-7,11H,2-3,8-10H2,1H3;1H
InChIKeyKGEDJJPTAHHIKR-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.40
Rot. Bonds4

About 1-pyrrolidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride

1-pyrrolidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride (PubChem CID 17065294) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride.

Molecular Properties

Compound Name1-pyrrolidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride
PubChem CID17065294
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name1-pyrrolidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride
SMILESCC(CN1CCCC1)OC(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H18ClNO2.ClH/c1-11(10-16-8-2-3-9-16)18-14(17)12-4-6-13(15)7-5-12;/h4-7,11H,2-3,8-10H2,1H3;1H
InChIKeyKGEDJJPTAHHIKR-UHFFFAOYSA-N
XLogP3.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-pyrrolidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

Bemesetron (USAN/INN)
CID 671690
4-Fluoro-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester
CID 24746780
8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate
CID 1683
Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CID 197768
4-[4-(Benzyloxy)piperidino]butyl-4-chlorobenzoate
CID 10135721
1-Azabicyclo[2.2.2]oct-3-yl 4-chlorobenzoate
CID 2802695
1-Morpholinopropan-2-yl 3-chlorobenzoate hydrochloride
CID 2912130
1-(2,6-Dimethylpiperidin-1-yl)propan-2-yl 2-chlorobenzoate
CID 4139253
1-(2,6-Dimethylpiperidin-1-yl)propan-2-yl 4-chlorobenzoate
CID 4400694
1-Morpholinopropan-2-yl benzoate hydrochloride
CID 16682374
(4-Chloro-phenyl)-acetic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester
CID 23724356
2-Piperidin-1-ylethyl 4-chlorobenzoate;hydrochloride
CID 2836405

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride?
The IUPAC name of 1-pyrrolidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride (CID 17065294) is 1-pyrrolidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride.
What is the SMILES notation for 1-pyrrolidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride?
The canonical SMILES for 1-pyrrolidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride is CC(CN1CCCC1)OC(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-pyrrolidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride?
The InChIKey is KGEDJJPTAHHIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2.ClH/c1-11(10-16-8-2-3-9-16)18-14(17)12-4-6-13(15)7-5-12;/h4-7,11H,2-3,8-10H2,1H3;1H.
What are the key properties of 1-pyrrolidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride?
1-pyrrolidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride has a molecular weight of 304.22 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride is sourced from PubChem (CID 17065294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).