methyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride

C15H22ClNO3 — CID 56830226

IUPACmethyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride
SMILESCOC(=O)c1cccc(OCCC2CCNCC2)c1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-18-15(17)13-3-2-4-14(11-13)19-10-7-12-5-8-16-9-6-12;/h2-4,11-12,16H,5-10H2,1H3;1H
InChIKeyJEVQSRJIFCBRAB-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.66
Rot. Bonds5

About methyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride

methyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride (PubChem CID 56830226) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is methyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride
PubChem CID56830226
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Namemethyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride
SMILESCOC(=O)c1cccc(OCCC2CCNCC2)c1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-18-15(17)13-3-2-4-14(11-13)19-10-7-12-5-8-16-9-6-12;/h2-4,11-12,16H,5-10H2,1H3;1H
InChIKeyJEVQSRJIFCBRAB-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830232
4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450
methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86321177
4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride
CID 56830247
4-[2-(3-iodophenoxy)ethyl]piperidine
CID 105061225
methyl 3-(2-fluoroethoxy)benzoate
CID 15058632
methyl 3-(2-iodoethoxy)benzoate
CID 10979673
3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide
CID 119386846
methyl 3-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate
CID 162750790
(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 93080822
4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine
CID 20751393
methyl 3-ethoxybenzoate
CID 3267781

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride?
The IUPAC name of methyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride (CID 56830226) is methyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride.
What is the SMILES notation for methyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride?
The canonical SMILES for methyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride is COC(=O)c1cccc(OCCC2CCNCC2)c1.Cl.
What is the InChIKey of methyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride?
The InChIKey is JEVQSRJIFCBRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3.ClH/c1-18-15(17)13-3-2-4-14(11-13)19-10-7-12-5-8-16-9-6-12;/h2-4,11-12,16H,5-10H2,1H3;1H.
What are the key properties of methyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride?
methyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride is sourced from PubChem (CID 56830226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).