methyl 4-piperidin-4-yloxybenzoate;hydrochloride

C13H18ClNO3 — CID 53410621

IUPACmethyl 4-piperidin-4-yloxybenzoate;hydrochloride
SMILESCOC(=O)c1ccc(OC2CCNCC2)cc1.Cl
InChIInChI=1S/C13H17NO3.ClH/c1-16-13(15)10-2-4-11(5-3-10)17-12-6-8-14-9-7-12;/h2-5,12,14H,6-9H2,1H3;1H
InChIKeyVRLHTHGGZZAAST-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.03
Rot. Bonds3

About methyl 4-piperidin-4-yloxybenzoate;hydrochloride

methyl 4-piperidin-4-yloxybenzoate;hydrochloride (PubChem CID 53410621) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is methyl 4-piperidin-4-yloxybenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-piperidin-4-yloxybenzoate;hydrochloride
PubChem CID53410621
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Namemethyl 4-piperidin-4-yloxybenzoate;hydrochloride
SMILESCOC(=O)c1ccc(OC2CCNCC2)cc1.Cl
InChIInChI=1S/C13H17NO3.ClH/c1-16-13(15)10-2-4-11(5-3-10)17-12-6-8-14-9-7-12;/h2-5,12,14H,6-9H2,1H3;1H
InChIKeyVRLHTHGGZZAAST-UHFFFAOYSA-N
XLogP2.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-piperidin-3-yloxybenzoate
CID 53410618
(2,2,2-trifluoroacetyl) 4-piperidin-4-yloxybenzoate
CID 123933976
methyl 4-(3-aminocyclobutyl)oxybenzoate
CID 156504136
N-cyclopropyl-N-methyl-4-piperidin-4-yloxybenzamide
CID 143792433
methyl 4-[(3R)-pyrrolidine-3-carbonyl]benzoate
CID 99934590
pyrrolidin-3-yl 4-methoxybenzoate;hydrochloride
CID 53409824
1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone
CID 114520610
methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374
methyl 4-[5-(4-cyclohexyloxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate
CID 20655660
methyl 3-[4-(azepan-4-yloxy)phenyl]propanoate
CID 117095090
3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride
CID 68915059
methyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 119965724

Frequently Asked Questions

What is the IUPAC name of methyl 4-piperidin-4-yloxybenzoate;hydrochloride?
The IUPAC name of methyl 4-piperidin-4-yloxybenzoate;hydrochloride (CID 53410621) is methyl 4-piperidin-4-yloxybenzoate;hydrochloride.
What is the SMILES notation for methyl 4-piperidin-4-yloxybenzoate;hydrochloride?
The canonical SMILES for methyl 4-piperidin-4-yloxybenzoate;hydrochloride is COC(=O)c1ccc(OC2CCNCC2)cc1.Cl.
What is the InChIKey of methyl 4-piperidin-4-yloxybenzoate;hydrochloride?
The InChIKey is VRLHTHGGZZAAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3.ClH/c1-16-13(15)10-2-4-11(5-3-10)17-12-6-8-14-9-7-12;/h2-5,12,14H,6-9H2,1H3;1H.
What are the key properties of methyl 4-piperidin-4-yloxybenzoate;hydrochloride?
methyl 4-piperidin-4-yloxybenzoate;hydrochloride has a molecular weight of 271.74 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-piperidin-4-yloxybenzoate;hydrochloride is sourced from PubChem (CID 53410621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).