methyl 4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate;hydrochloride

C24H26ClNO3 — CID 174397189

IUPACmethyl 4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(C2CCN(OCc3ccc4ccccc4c3)CC2)cc1.Cl
InChIInChI=1S/C24H25NO3.ClH/c1-27-24(26)22-10-8-20(9-11-22)21-12-14-25(15-13-21)28-17-18-6-7-19-4-2-3-5-23(19)16-18;/h2-11,16,21H,12-15,17H2,1H3;1H
InChIKeyHFTJRGGFFQWDFU-UHFFFAOYSA-N
MW411.93 g/mol
LogP5.36
Rot. Bonds5

About methyl 4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate;hydrochloride

methyl 4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate;hydrochloride (PubChem CID 174397189) has the molecular formula C24H26ClNO3 and a molecular weight of 411.93 g/mol. Its IUPAC name is methyl 4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate;hydrochloride
PubChem CID174397189
Molecular FormulaC24H26ClNO3
Molecular Weight411.93 g/mol
Exact Mass411.16
IUPAC Namemethyl 4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(C2CCN(OCc3ccc4ccccc4c3)CC2)cc1.Cl
InChIInChI=1S/C24H25NO3.ClH/c1-27-24(26)22-10-8-20(9-11-22)21-12-14-25(15-13-21)28-17-18-6-7-19-4-2-3-5-23(19)16-18;/h2-11,16,21H,12-15,17H2,1H3;1H
InChIKeyHFTJRGGFFQWDFU-UHFFFAOYSA-N
XLogP5.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.93
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl [4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl carbonate
CID 54348888
methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate
CID 11573081
methyl 6-cyclopropylnaphthalene-2-carboxylate
CID 54752886
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate
CID 925837
methyl 4-[3-(4-cyclohexylphenyl)-3-oxopropanoyl]benzoate
CID 67375575
methyl 4-[1-(2-methylpropanoyl)piperidin-4-yl]benzoate
CID 170758157
methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate
CID 161270022
methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate
CID 54453046
methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate
CID 9324257
methyl 4-[(4-cyclohexylphenyl)methylamino]benzoate
CID 67485130
(4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 895058

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate;hydrochloride?
The IUPAC name of methyl 4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate;hydrochloride (CID 174397189) is methyl 4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate;hydrochloride.
What is the SMILES notation for methyl 4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate;hydrochloride?
The canonical SMILES for methyl 4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate;hydrochloride is COC(=O)c1ccc(C2CCN(OCc3ccc4ccccc4c3)CC2)cc1.Cl.
What is the InChIKey of methyl 4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate;hydrochloride?
The InChIKey is HFTJRGGFFQWDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3.ClH/c1-27-24(26)22-10-8-20(9-11-22)21-12-14-25(15-13-21)28-17-18-6-7-19-4-2-3-5-23(19)16-18;/h2-11,16,21H,12-15,17H2,1H3;1H.
What are the key properties of methyl 4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate;hydrochloride?
methyl 4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate;hydrochloride has a molecular weight of 411.93 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate;hydrochloride is sourced from PubChem (CID 174397189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).