[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride

C32H34ClNO5 — CID 22128540

IUPAC[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)OCc2ccc(C3CCNCC3OCc3ccc4ccccc4c3)cc2)c1.Cl
InChIInChI=1S/C32H33NO5.ClH/c1-35-28-16-27(17-29(18-28)36-2)32(34)38-20-22-7-11-25(12-8-22)30-13-14-33-19-31(30)37-21-23-9-10-24-5-3-4-6-26(24)15-23;/h3-12,15-18,30-31,33H,13-14,19-21H2,1-2H3;1H
InChIKeyADLZGZDDEQNPDH-UHFFFAOYSA-N
MW548.08 g/mol
LogP6.30
Rot. Bonds9

About [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride

[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride (PubChem CID 22128540) has the molecular formula C32H34ClNO5 and a molecular weight of 548.08 g/mol. Its IUPAC name is [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride.

Molecular Properties

Compound Name[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride
PubChem CID22128540
Molecular FormulaC32H34ClNO5
Molecular Weight548.08 g/mol
Exact Mass547.21
IUPAC Name[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)OCc2ccc(C3CCNCC3OCc3ccc4ccccc4c3)cc2)c1.Cl
InChIInChI=1S/C32H33NO5.ClH/c1-35-28-16-27(17-29(18-28)36-2)32(34)38-20-22-7-11-25(12-8-22)30-13-14-33-19-31(30)37-21-23-9-10-24-5-3-4-6-26(24)15-23;/h3-12,15-18,30-31,33H,13-14,19-21H2,1-2H3;1H
InChIKeyADLZGZDDEQNPDH-UHFFFAOYSA-N
XLogP6.30
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.08
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride with MolForge

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Related Compounds

4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl]benzamide
CID 22127716
methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate
CID 54453046
2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid
CID 22127042
[(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate
CID 22127492
2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethyl 4-hydroxybenzoate
CID 22127458
3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine
CID 173295938
3-[(4-methoxyphenyl)methoxy]-4-phenylpiperidine
CID 22127654
[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl N-pyridin-2-ylcarbamate
CID 22128785
5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid
CID 174421641
4-(4-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methoxy]piperidine
CID 22126304
tert-butyl formate;[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol
CID 174435135
4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide
CID 22126678

Frequently Asked Questions

What is the IUPAC name of [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride?
The IUPAC name of [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride (CID 22128540) is [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride.
What is the SMILES notation for [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride?
The canonical SMILES for [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride is COc1cc(OC)cc(C(=O)OCc2ccc(C3CCNCC3OCc3ccc4ccccc4c3)cc2)c1.Cl.
What is the InChIKey of [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride?
The InChIKey is ADLZGZDDEQNPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO5.ClH/c1-35-28-16-27(17-29(18-28)36-2)32(34)38-20-22-7-11-25(12-8-22)30-13-14-33-19-31(30)37-21-23-9-10-24-5-3-4-6-26(24)15-23;/h3-12,15-18,30-31,33H,13-14,19-21H2,1-2H3;1H.
What are the key properties of [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride?
[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride has a molecular weight of 548.08 g/mol, XLogP of 6.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride is sourced from PubChem (CID 22128540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).