methyl 3-piperidin-2-ylbenzoate;hydrochloride

C13H18ClNO2 — CID 91798908

IUPACmethyl 3-piperidin-2-ylbenzoate;hydrochloride
SMILESCOC(=O)c1cccc(C2CCCCN2)c1.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-16-13(15)11-6-4-5-10(9-11)12-7-2-3-8-14-12;/h4-6,9,12,14H,2-3,7-8H2,1H3;1H
InChIKeyOBZABVTYQZJYCG-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.71
Rot. Bonds2

About methyl 3-piperidin-2-ylbenzoate;hydrochloride

methyl 3-piperidin-2-ylbenzoate;hydrochloride (PubChem CID 91798908) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is methyl 3-piperidin-2-ylbenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-piperidin-2-ylbenzoate;hydrochloride
PubChem CID91798908
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Namemethyl 3-piperidin-2-ylbenzoate;hydrochloride
SMILESCOC(=O)c1cccc(C2CCCCN2)c1.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-16-13(15)11-6-4-5-10(9-11)12-7-2-3-8-14-12;/h4-6,9,12,14H,2-3,7-8H2,1H3;1H
InChIKeyOBZABVTYQZJYCG-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-piperidin-2-yl]benzamide;hydrochloride
CID 154574752
methyl 3-[(2R)-piperazin-2-yl]benzoate
CID 171194660
methyl 3-methoxy-4-[(2S)-piperidin-2-yl]benzoate
CID 125468644
methyl 3-cyclohexylbenzoate
CID 67160762
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
[3-[(2R)-piperidin-2-yl]phenyl] acetate
CID 131481230
methyl 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylate
CID 131408297
methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate
CID 131276889
acetic acid;(3-piperidin-2-ylphenyl) acetate
CID 162323742
methyl 5-piperidin-2-ylpyridine-2-carboxylate
CID 54396693
methyl 5-piperidin-2-ylthiophene-3-carboxylate
CID 130022786
3-[(2S)-piperidin-2-yl]phenol
CID 55277853

Frequently Asked Questions

What is the IUPAC name of methyl 3-piperidin-2-ylbenzoate;hydrochloride?
The IUPAC name of methyl 3-piperidin-2-ylbenzoate;hydrochloride (CID 91798908) is methyl 3-piperidin-2-ylbenzoate;hydrochloride.
What is the SMILES notation for methyl 3-piperidin-2-ylbenzoate;hydrochloride?
The canonical SMILES for methyl 3-piperidin-2-ylbenzoate;hydrochloride is COC(=O)c1cccc(C2CCCCN2)c1.Cl.
What is the InChIKey of methyl 3-piperidin-2-ylbenzoate;hydrochloride?
The InChIKey is OBZABVTYQZJYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c1-16-13(15)11-6-4-5-10(9-11)12-7-2-3-8-14-12;/h4-6,9,12,14H,2-3,7-8H2,1H3;1H.
What are the key properties of methyl 3-piperidin-2-ylbenzoate;hydrochloride?
methyl 3-piperidin-2-ylbenzoate;hydrochloride has a molecular weight of 255.74 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-piperidin-2-ylbenzoate;hydrochloride is sourced from PubChem (CID 91798908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).