3,4-dichloro-N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]aniline

C23H30Cl2N2O2 — CID 66996313

IUPAC3,4-dichloro-N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]aniline
SMILESCOc1ccc(CCN2CCC(CCNc3ccc(Cl)c(Cl)c3)CC2)cc1OC
InChIInChI=1S/C23H30Cl2N2O2/c1-28-22-6-3-18(15-23(22)29-2)10-14-27-12-8-17(9-13-27)7-11-26-19-4-5-20(24)21(25)16-19/h3-6,15-17,26H,7-14H2,1-2H3
InChIKeyRILKLAGMHRXTJR-UHFFFAOYSA-N
MW437.41 g/mol
LogP5.77
Rot. Bonds9

About 3,4-dichloro-N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]aniline

3,4-dichloro-N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]aniline (PubChem CID 66996313) has the molecular formula C23H30Cl2N2O2 and a molecular weight of 437.41 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]aniline
PubChem CID66996313
Molecular FormulaC23H30Cl2N2O2
Molecular Weight437.41 g/mol
Exact Mass436.17
IUPAC Name3,4-dichloro-N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]aniline
SMILESCOc1ccc(CCN2CCC(CCNc3ccc(Cl)c(Cl)c3)CC2)cc1OC
InChIInChI=1S/C23H30Cl2N2O2/c1-28-22-6-3-18(15-23(22)29-2)10-14-27-12-8-17(9-13-27)7-11-26-19-4-5-20(24)21(25)16-19/h3-6,15-17,26H,7-14H2,1-2H3
InChIKeyRILKLAGMHRXTJR-UHFFFAOYSA-N
XLogP5.77
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.41
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 43315161
4-chloro-N-(2-cyclopropylethyl)-3-methoxyaniline
CID 107266013
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine
CID 69345184
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 54591726
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine
CID 54591654
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 43315157
3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline
CID 54806952
N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4-dichloroaniline;hydrochloride
CID 18538685
N-(3-chloro-4-methoxyphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 15923223
3-(2-chloroethyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine
CID 114800709
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
N'-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2250005

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]aniline?
The IUPAC name of 3,4-dichloro-N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]aniline (CID 66996313) is 3,4-dichloro-N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]aniline is COc1ccc(CCN2CCC(CCNc3ccc(Cl)c(Cl)c3)CC2)cc1OC.
What is the InChIKey of 3,4-dichloro-N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]aniline?
The InChIKey is RILKLAGMHRXTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2N2O2/c1-28-22-6-3-18(15-23(22)29-2)10-14-27-12-8-17(9-13-27)7-11-26-19-4-5-20(24)21(25)16-19/h3-6,15-17,26H,7-14H2,1-2H3.
What are the key properties of 3,4-dichloro-N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]aniline?
3,4-dichloro-N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]aniline has a molecular weight of 437.41 g/mol, XLogP of 5.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]aniline is sourced from PubChem (CID 66996313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).