2-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-N-(2-piperidin-1-ylethyl)aniline;hydrochloride

C31H35ClN2O3 — CID 67574232

IUPAC2-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-N-(2-piperidin-1-ylethyl)aniline;hydrochloride
SMILESCOc1ccc(-c2ccc3cc(OC)ccc3c2Oc2ccccc2NCCN2CCCCC2)cc1.Cl
InChIInChI=1S/C31H34N2O3.ClH/c1-34-25-13-10-23(11-14-25)27-16-12-24-22-26(35-2)15-17-28(24)31(27)36-30-9-5-4-8-29(30)32-18-21-33-19-6-3-7-20-33;/h4-5,8-17,22,32H,3,6-7,18-21H2,1-2H3;1H
InChIKeyMVXRZBZXPKKQCT-UHFFFAOYSA-N
MW519.09 g/mol
LogP7.64
Rot. Bonds9

About 2-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-N-(2-piperidin-1-ylethyl)aniline;hydrochloride

2-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-N-(2-piperidin-1-ylethyl)aniline;hydrochloride (PubChem CID 67574232) has the molecular formula C31H35ClN2O3 and a molecular weight of 519.09 g/mol. Its IUPAC name is 2-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-N-(2-piperidin-1-ylethyl)aniline;hydrochloride.

Molecular Properties

Compound Name2-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-N-(2-piperidin-1-ylethyl)aniline;hydrochloride
PubChem CID67574232
Molecular FormulaC31H35ClN2O3
Molecular Weight519.09 g/mol
Exact Mass518.23
IUPAC Name2-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-N-(2-piperidin-1-ylethyl)aniline;hydrochloride
SMILESCOc1ccc(-c2ccc3cc(OC)ccc3c2Oc2ccccc2NCCN2CCCCC2)cc1.Cl
InChIInChI=1S/C31H34N2O3.ClH/c1-34-25-13-10-23(11-14-25)27-16-12-24-22-26(35-2)15-17-28(24)31(27)36-30-9-5-4-8-29(30)32-18-21-33-19-6-3-7-20-33;/h4-5,8-17,22,32H,3,6-7,18-21H2,1-2H3;1H
InChIKeyMVXRZBZXPKKQCT-UHFFFAOYSA-N
XLogP7.64
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.09
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-N-(2-piperidin-1-ylethyl)aniline;hydrochloride with MolForge

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Related Compounds

1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-2-propylphenyl]piperidine;hydrochloride
CID 67602813
N-[2-[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-3-piperidin-1-ylpropanamide
CID 67610981
1-[2-[4-[2-(4-ethylsulfonylphenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68518332
1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-3-phenoxypropyl]piperidine;hydrochloride
CID 67582475
1-[2-[4-[6-methoxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68514257
1-[4-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butyl]piperidine
CID 70015592
1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58691217
2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide
CID 45051431
5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one
CID 69440011
3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzonitrile
CID 69436639
6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine
CID 106538439
2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093801

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-N-(2-piperidin-1-ylethyl)aniline;hydrochloride?
The IUPAC name of 2-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-N-(2-piperidin-1-ylethyl)aniline;hydrochloride (CID 67574232) is 2-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-N-(2-piperidin-1-ylethyl)aniline;hydrochloride.
What is the SMILES notation for 2-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-N-(2-piperidin-1-ylethyl)aniline;hydrochloride?
The canonical SMILES for 2-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-N-(2-piperidin-1-ylethyl)aniline;hydrochloride is COc1ccc(-c2ccc3cc(OC)ccc3c2Oc2ccccc2NCCN2CCCCC2)cc1.Cl.
What is the InChIKey of 2-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-N-(2-piperidin-1-ylethyl)aniline;hydrochloride?
The InChIKey is MVXRZBZXPKKQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O3.ClH/c1-34-25-13-10-23(11-14-25)27-16-12-24-22-26(35-2)15-17-28(24)31(27)36-30-9-5-4-8-29(30)32-18-21-33-19-6-3-7-20-33;/h4-5,8-17,22,32H,3,6-7,18-21H2,1-2H3;1H.
What are the key properties of 2-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-N-(2-piperidin-1-ylethyl)aniline;hydrochloride?
2-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-N-(2-piperidin-1-ylethyl)aniline;hydrochloride has a molecular weight of 519.09 g/mol, XLogP of 7.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-N-(2-piperidin-1-ylethyl)aniline;hydrochloride is sourced from PubChem (CID 67574232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).