methyl 4-(piperidin-4-ylmethyl)benzoate;hydrochloride

C14H20ClNO2 — CID 18538698

IUPACmethyl 4-(piperidin-4-ylmethyl)benzoate;hydrochloride
SMILESCOC(=O)c1ccc(CC2CCNCC2)cc1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-17-14(16)13-4-2-11(3-5-13)10-12-6-8-15-9-7-12;/h2-5,12,15H,6-10H2,1H3;1H
InChIKeyIODVBAPWGFQCFX-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.44
Rot. Bonds3

About methyl 4-(piperidin-4-ylmethyl)benzoate;hydrochloride

methyl 4-(piperidin-4-ylmethyl)benzoate;hydrochloride (PubChem CID 18538698) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is methyl 4-(piperidin-4-ylmethyl)benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(piperidin-4-ylmethyl)benzoate;hydrochloride
PubChem CID18538698
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Namemethyl 4-(piperidin-4-ylmethyl)benzoate;hydrochloride
SMILESCOC(=O)c1ccc(CC2CCNCC2)cc1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-17-14(16)13-4-2-11(3-5-13)10-12-6-8-15-9-7-12;/h2-5,12,15H,6-10H2,1H3;1H
InChIKeyIODVBAPWGFQCFX-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(piperidin-4-ylmethyl)benzoate;hydrochloride?
The IUPAC name of methyl 4-(piperidin-4-ylmethyl)benzoate;hydrochloride (CID 18538698) is methyl 4-(piperidin-4-ylmethyl)benzoate;hydrochloride.
What is the SMILES notation for methyl 4-(piperidin-4-ylmethyl)benzoate;hydrochloride?
The canonical SMILES for methyl 4-(piperidin-4-ylmethyl)benzoate;hydrochloride is COC(=O)c1ccc(CC2CCNCC2)cc1.Cl.
What is the InChIKey of methyl 4-(piperidin-4-ylmethyl)benzoate;hydrochloride?
The InChIKey is IODVBAPWGFQCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-17-14(16)13-4-2-11(3-5-13)10-12-6-8-15-9-7-12;/h2-5,12,15H,6-10H2,1H3;1H.
What are the key properties of methyl 4-(piperidin-4-ylmethyl)benzoate;hydrochloride?
methyl 4-(piperidin-4-ylmethyl)benzoate;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(piperidin-4-ylmethyl)benzoate;hydrochloride is sourced from PubChem (CID 18538698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).