methyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride

C15H22ClNO3 — CID 56831193

IUPACmethyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride
SMILESCOC(=O)c1ccccc1COCC1CCCNC1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-18-15(17)14-7-3-2-6-13(14)11-19-10-12-5-4-8-16-9-12;/h2-3,6-7,12,16H,4-5,8-11H2,1H3;1H
InChIKeyPTLUBJYPHAMYGU-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.41
Rot. Bonds5

About methyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride

methyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride (PubChem CID 56831193) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is methyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride
PubChem CID56831193
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Namemethyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride
SMILESCOC(=O)c1ccccc1COCC1CCCNC1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-18-15(17)14-7-3-2-6-13(14)11-19-10-12-5-4-8-16-9-12;/h2-3,6-7,12,16H,4-5,8-11H2,1H3;1H
InChIKeyPTLUBJYPHAMYGU-UHFFFAOYSA-N
XLogP2.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride
CID 46735612
3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831008
3-[(2-fluorophenyl)methoxymethyl]piperidine
CID 56831009
methyl 2-(2-piperidin-4-ylethoxymethyl)benzoate
CID 53410600
methyl 2-(azetidin-3-yloxymethyl)benzoate
CID 53410594
methyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate
CID 83212715
methyl 2-[[(3S)-pyrrolidin-3-yl]methoxy]benzoate
CID 86320528
methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate
CID 82976185
3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 53414657
3-[(2-methylphenyl)methoxymethyl]pyrrolidine
CID 56829929
ethyl 2-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830906
methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate
CID 169177589

Frequently Asked Questions

What is the IUPAC name of methyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride?
The IUPAC name of methyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride (CID 56831193) is methyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride.
What is the SMILES notation for methyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride?
The canonical SMILES for methyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride is COC(=O)c1ccccc1COCC1CCCNC1.Cl.
What is the InChIKey of methyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride?
The InChIKey is PTLUBJYPHAMYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3.ClH/c1-18-15(17)14-7-3-2-6-13(14)11-19-10-12-5-4-8-16-9-12;/h2-3,6-7,12,16H,4-5,8-11H2,1H3;1H.
What are the key properties of methyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride?
methyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride is sourced from PubChem (CID 56831193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).