2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate

C15H19Cl2NO2 — CID 155075487

IUPAC2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate
SMILESCC(C)(OC(=O)c1ccc(Cl)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C15H19Cl2NO2/c1-15(2,11-5-7-18-8-6-11)20-14(19)10-3-4-12(16)13(17)9-10/h3-4,9,11,18H,5-8H2,1-2H3
InChIKeyKZHVHVJBHPQZOC-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.93
Rot. Bonds3

About 2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate

2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate (PubChem CID 155075487) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate
PubChem CID155075487
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate
SMILESCC(C)(OC(=O)c1ccc(Cl)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C15H19Cl2NO2/c1-15(2,11-5-7-18-8-6-11)20-14(19)10-3-4-12(16)13(17)9-10/h3-4,9,11,18H,5-8H2,1-2H3
InChIKeyKZHVHVJBHPQZOC-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate 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

2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate
CID 155075746
2-piperidin-4-ylpropan-2-yl 4-bromobenzoate
CID 155605413
2-piperidin-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate
CID 155075561
bis(2-piperidin-4-ylpropan-2-yl) 4-bromobenzene-1,3-dicarboxylate
CID 155605322
2-piperidin-4-ylpropan-2-yl 4-bromo-3-methylbenzoate
CID 155605314
bis(2-piperidin-4-ylpropan-2-yl) 5-bromobenzene-1,3-dicarboxylate
CID 155605297
2-piperidin-4-ylpropan-2-yl 4-methyl-3-nitrobenzoate
CID 155605324
2-piperidin-4-ylpropan-2-yl 2-chloro-5-nitrobenzoate
CID 155605377
2-piperidin-4-ylpropan-2-yl 3-chloro-2-methylbenzoate
CID 155075997
2-piperidin-4-ylpropan-2-yl 3-bromo-5-iodobenzoate
CID 154609259
tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate
CID 155075585
2-piperidin-4-ylpropan-2-yl 2,5-dihydroxybenzoate
CID 155075349

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate (CID 155075487) is 2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate is CC(C)(OC(=O)c1ccc(Cl)c(Cl)c1)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate?
The InChIKey is KZHVHVJBHPQZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-15(2,11-5-7-18-8-6-11)20-14(19)10-3-4-12(16)13(17)9-10/h3-4,9,11,18H,5-8H2,1-2H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate?
2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate has a molecular weight of 316.23 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate is sourced from PubChem (CID 155075487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).