N-[[4-methoxy-3-(3-methoxyphenyl)phenyl]methyl]-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]aniline

C33H36N2O3 — CID 123792614

IUPACN-[[4-methoxy-3-(3-methoxyphenyl)phenyl]methyl]-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]aniline
SMILESCOc1cccc(-c2cc(CNc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cc3)ccc2OC)c1
InChIInChI=1S/C33H36N2O3/c1-35-19-17-30(18-20-35)38-29-14-10-26(11-15-29)25-8-12-28(13-9-25)34-23-24-7-16-33(37-3)32(21-24)27-5-4-6-31(22-27)36-2/h4-16,21-22,30,34H,17-20,23H2,1-3H3
InChIKeyRARTUJSJXOKMMZ-UHFFFAOYSA-N
MW508.66 g/mol
LogP7.12
Rot. Bonds9

About N-[[4-methoxy-3-(3-methoxyphenyl)phenyl]methyl]-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]aniline

N-[[4-methoxy-3-(3-methoxyphenyl)phenyl]methyl]-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]aniline (PubChem CID 123792614) has the molecular formula C33H36N2O3 and a molecular weight of 508.66 g/mol. Its IUPAC name is N-[[4-methoxy-3-(3-methoxyphenyl)phenyl]methyl]-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]aniline.

Molecular Properties

Compound NameN-[[4-methoxy-3-(3-methoxyphenyl)phenyl]methyl]-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]aniline
PubChem CID123792614
Molecular FormulaC33H36N2O3
Molecular Weight508.66 g/mol
Exact Mass508.27
IUPAC NameN-[[4-methoxy-3-(3-methoxyphenyl)phenyl]methyl]-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]aniline
SMILESCOc1cccc(-c2cc(CNc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cc3)ccc2OC)c1
InChIInChI=1S/C33H36N2O3/c1-35-19-17-30(18-20-35)38-29-14-10-26(11-15-29)25-8-12-28(13-9-25)34-23-24-7-16-33(37-3)32(21-24)27-5-4-6-31(22-27)36-2/h4-16,21-22,30,34H,17-20,23H2,1-3H3
InChIKeyRARTUJSJXOKMMZ-UHFFFAOYSA-N
XLogP7.12
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.66
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide
CID 118063377
N-[3-acetamido-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
CID 118063348
4-methoxy-3-(3-methoxyphenyl)-N-[4-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063067
N-[4-[4-(1-formylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
CID 167018948
4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine
CID 24733680
1-[4-methoxy-3-(3-methoxyphenyl)phenyl]-2-[4-[3-(3-methylbutyl)-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]ethanone
CID 146967887
N-methoxy-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]methanamine
CID 115005034
1-[4-methoxy-3-(3-methylphenyl)phenyl]-2-[4-[2-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]ethanone
CID 160781965
4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 24733703
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957
N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline
CID 166814764
2-(2-methoxyphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]acetamide
CID 99970858

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-(3-methoxyphenyl)phenyl]methyl]-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]aniline?
The IUPAC name of N-[[4-methoxy-3-(3-methoxyphenyl)phenyl]methyl]-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]aniline (CID 123792614) is N-[[4-methoxy-3-(3-methoxyphenyl)phenyl]methyl]-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]aniline.
What is the SMILES notation for N-[[4-methoxy-3-(3-methoxyphenyl)phenyl]methyl]-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]aniline?
The canonical SMILES for N-[[4-methoxy-3-(3-methoxyphenyl)phenyl]methyl]-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]aniline is COc1cccc(-c2cc(CNc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cc3)ccc2OC)c1.
What is the InChIKey of N-[[4-methoxy-3-(3-methoxyphenyl)phenyl]methyl]-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]aniline?
The InChIKey is RARTUJSJXOKMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O3/c1-35-19-17-30(18-20-35)38-29-14-10-26(11-15-29)25-8-12-28(13-9-25)34-23-24-7-16-33(37-3)32(21-24)27-5-4-6-31(22-27)36-2/h4-16,21-22,30,34H,17-20,23H2,1-3H3.
What are the key properties of N-[[4-methoxy-3-(3-methoxyphenyl)phenyl]methyl]-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]aniline?
N-[[4-methoxy-3-(3-methoxyphenyl)phenyl]methyl]-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]aniline has a molecular weight of 508.66 g/mol, XLogP of 7.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-(3-methoxyphenyl)phenyl]methyl]-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]aniline is sourced from PubChem (CID 123792614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).