3-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine

C22H29Cl2N3O — CID 72949692

IUPAC3-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCOc1ccccc1N1CCN(C(CCN(C)C)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C22H29Cl2N3O/c1-25(2)11-10-20(17-8-9-18(23)19(24)16-17)26-12-14-27(15-13-26)21-6-4-5-7-22(21)28-3/h4-9,16,20H,10-15H2,1-3H3
InChIKeyZEHTUCRXPFSMRK-UHFFFAOYSA-N
MW422.40 g/mol
LogP4.82
Rot. Bonds7

About 3-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine

3-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 72949692) has the molecular formula C22H29Cl2N3O and a molecular weight of 422.40 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID72949692
Molecular FormulaC22H29Cl2N3O
Molecular Weight422.40 g/mol
Exact Mass421.17
IUPAC Name3-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCOc1ccccc1N1CCN(C(CCN(C)C)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C22H29Cl2N3O/c1-25(2)11-10-20(17-8-9-18(23)19(24)16-17)26-12-14-27(15-13-26)21-6-4-5-7-22(21)28-3/h4-9,16,20H,10-15H2,1-3H3
InChIKeyZEHTUCRXPFSMRK-UHFFFAOYSA-N
XLogP4.82
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54767240
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687289
(2R)-N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 92984615
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(triazol-2-yl)propan-1-amine
CID 44540616
1-(dimethylamino)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 18714192
3,4-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 27665451
(2R)-2-(furan-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamine
CID 9161352
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
1-[3-[3,5-bis(trifluoromethyl)phenyl]-1-(2-methoxyphenyl)propyl]-4-(2-chlorophenyl)piperazine
CID 173316847
(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 46832946
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
N'-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]butanimidamide
CID 76883662

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine (CID 72949692) is 3-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine is COc1ccccc1N1CCN(C(CCN(C)C)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is ZEHTUCRXPFSMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29Cl2N3O/c1-25(2)11-10-20(17-8-9-18(23)19(24)16-17)26-12-14-27(15-13-26)21-6-4-5-7-22(21)28-3/h4-9,16,20H,10-15H2,1-3H3.
What are the key properties of 3-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine?
3-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 422.40 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 72949692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).