methyl 3-(piperidin-4-ylamino)benzoate;hydrochloride

C13H19ClN2O2 — CID 71756660

IUPACmethyl 3-(piperidin-4-ylamino)benzoate;hydrochloride
SMILESCOC(=O)c1cccc(NC2CCNCC2)c1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-17-13(16)10-3-2-4-12(9-10)15-11-5-7-14-8-6-11;/h2-4,9,11,14-15H,5-8H2,1H3;1H
InChIKeyRZHYHSCUZPFSPO-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.06
Rot. Bonds3

About methyl 3-(piperidin-4-ylamino)benzoate;hydrochloride

methyl 3-(piperidin-4-ylamino)benzoate;hydrochloride (PubChem CID 71756660) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is methyl 3-(piperidin-4-ylamino)benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(piperidin-4-ylamino)benzoate;hydrochloride
PubChem CID71756660
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Namemethyl 3-(piperidin-4-ylamino)benzoate;hydrochloride
SMILESCOC(=O)c1cccc(NC2CCNCC2)c1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-17-13(16)10-3-2-4-12(9-10)15-11-5-7-14-8-6-11;/h2-4,9,11,14-15H,5-8H2,1H3;1H
InChIKeyRZHYHSCUZPFSPO-UHFFFAOYSA-N
XLogP2.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-(piperidin-4-ylamino)benzoate;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 methyl 3-(piperidin-4-ylamino)benzoate;hydrochloride?
The IUPAC name of methyl 3-(piperidin-4-ylamino)benzoate;hydrochloride (CID 71756660) is methyl 3-(piperidin-4-ylamino)benzoate;hydrochloride.
What is the SMILES notation for methyl 3-(piperidin-4-ylamino)benzoate;hydrochloride?
The canonical SMILES for methyl 3-(piperidin-4-ylamino)benzoate;hydrochloride is COC(=O)c1cccc(NC2CCNCC2)c1.Cl.
What is the InChIKey of methyl 3-(piperidin-4-ylamino)benzoate;hydrochloride?
The InChIKey is RZHYHSCUZPFSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-17-13(16)10-3-2-4-12(9-10)15-11-5-7-14-8-6-11;/h2-4,9,11,14-15H,5-8H2,1H3;1H.
What are the key properties of methyl 3-(piperidin-4-ylamino)benzoate;hydrochloride?
methyl 3-(piperidin-4-ylamino)benzoate;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(piperidin-4-ylamino)benzoate;hydrochloride is sourced from PubChem (CID 71756660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).