1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine;hydron;dichloride

C27H34Cl2N2O2 — CID 50987098

IUPAC1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine;hydron;dichloride
SMILESCOc1ccccc1OC(CCN1CCN(Cc2ccccc2)CC1)c1ccccc1.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C27H32N2O2.2ClH/c1-30-26-14-8-9-15-27(26)31-25(24-12-6-3-7-13-24)16-17-28-18-20-29(21-19-28)22-23-10-4-2-5-11-23;;/h2-15,25H,16-22H2,1H3;2*1H
InChIKeyCFZTUQDOIGNNGT-UHFFFAOYSA-N
MW489.49 g/mol
LogP-0.74
Rot. Bonds9

About 1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine;hydron;dichloride

1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine;hydron;dichloride (PubChem CID 50987098) has the molecular formula C27H34Cl2N2O2 and a molecular weight of 489.49 g/mol. Its IUPAC name is 1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine;hydron;dichloride.

Molecular Properties

Compound Name1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine;hydron;dichloride
PubChem CID50987098
Molecular FormulaC27H34Cl2N2O2
Molecular Weight489.49 g/mol
Exact Mass488.20
IUPAC Name1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine;hydron;dichloride
SMILESCOc1ccccc1OC(CCN1CCN(Cc2ccccc2)CC1)c1ccccc1.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C27H32N2O2.2ClH/c1-30-26-14-8-9-15-27(26)31-25(24-12-6-3-7-13-24)16-17-28-18-20-29(21-19-28)22-23-10-4-2-5-11-23;;/h2-15,25H,16-22H2,1H3;2*1H
InChIKeyCFZTUQDOIGNNGT-UHFFFAOYSA-N
XLogP-0.74
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.49
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[3-(3-chlorophenyl)-3-(2-methoxy-4-methylphenoxy)propyl]piperazine
CID 46068930
1-methyl-4-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine
CID 1049225
1-benzyl-4-[(3R)-3-(3-chlorophenyl)-3-(4-methoxyphenoxy)propyl]piperazine
CID 92998656
1-benzyl-4-[3-(2-fluoro-5-methylphenoxy)-3-(2-methoxyphenyl)propyl]piperazine
CID 42867858
1-benzyl-4-[3-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)propyl]piperazine
CID 42867881
1-benzyl-4-[(3S)-3-phenylbutyl]piperazine
CID 1376475
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
1-benzyl-4-[(2R)-2-methoxy-2-phenylethyl]piperazine
CID 10448132
4-[3-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)propoxy]-3-methoxybenzonitrile
CID 42867890
3-(1-benzylpiperidin-4-yl)-1-[4-[3-(dimethylamino)-1-(2-methoxyphenoxy)propyl]phenyl]propan-1-one
CID 139836303
1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride
CID 23723096
(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
CID 93338021

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine;hydron;dichloride?
The IUPAC name of 1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine;hydron;dichloride (CID 50987098) is 1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine;hydron;dichloride.
What is the SMILES notation for 1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine;hydron;dichloride?
The canonical SMILES for 1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine;hydron;dichloride is COc1ccccc1OC(CCN1CCN(Cc2ccccc2)CC1)c1ccccc1.[Cl-].[Cl-].[H+].[H+].
What is the InChIKey of 1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine;hydron;dichloride?
The InChIKey is CFZTUQDOIGNNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2.2ClH/c1-30-26-14-8-9-15-27(26)31-25(24-12-6-3-7-13-24)16-17-28-18-20-29(21-19-28)22-23-10-4-2-5-11-23;;/h2-15,25H,16-22H2,1H3;2*1H.
What are the key properties of 1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine;hydron;dichloride?
1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine;hydron;dichloride has a molecular weight of 489.49 g/mol, XLogP of -0.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine;hydron;dichloride is sourced from PubChem (CID 50987098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).