1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride

C18H32Cl2N2O2 — CID 171304751

IUPAC1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
SMILESCCOc1cc([C@@H](C(C)CC)N2CCNCC2)ccc1OC.Cl.Cl
InChIInChI=1S/C18H30N2O2.2ClH/c1-5-14(3)18(20-11-9-19-10-12-20)15-7-8-16(21-4)17(13-15)22-6-2;;/h7-8,13-14,18-19H,5-6,9-12H2,1-4H3;2*1H/t14?,18-;;/m1../s1
InChIKeyPWPLEQOEDLKLAB-HVZXYGIMSA-N
MW379.37 g/mol
LogP3.93
Rot. Bonds7

About 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride

1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride (PubChem CID 171304751) has the molecular formula C18H32Cl2N2O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
PubChem CID171304751
Molecular FormulaC18H32Cl2N2O2
Molecular Weight379.37 g/mol
Exact Mass378.18
IUPAC Name1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
SMILESCCOc1cc([C@@H](C(C)CC)N2CCNCC2)ccc1OC.Cl.Cl
InChIInChI=1S/C18H30N2O2.2ClH/c1-5-14(3)18(20-11-9-19-10-12-20)15-7-8-16(21-4)17(13-15)22-6-2;;/h7-8,13-14,18-19H,5-6,9-12H2,1-4H3;2*1H/t14?,18-;;/m1../s1
InChIKeyPWPLEQOEDLKLAB-HVZXYGIMSA-N
XLogP3.93
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304379
1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine
CID 171304822
1-[(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305499
1-[(1S)-1-(3-bromo-4-methoxyphenyl)-2-methylbutyl]piperazine
CID 171305332
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304943
1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine
CID 171293533
1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3478154
2,6-dimethoxy-4-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171305069
1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine
CID 3967405
1-[(3,4-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane
CID 3826604
(3R)-3-(3-ethoxy-4-methoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171307015
1-[(S)-cyclobutyl-(3-ethoxy-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171280900

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride (CID 171304751) is 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride is CCOc1cc([C@@H](C(C)CC)N2CCNCC2)ccc1OC.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride?
The InChIKey is PWPLEQOEDLKLAB-HVZXYGIMSA-N. The full InChI is InChI=1S/C18H30N2O2.2ClH/c1-5-14(3)18(20-11-9-19-10-12-20)15-7-8-16(21-4)17(13-15)22-6-2;;/h7-8,13-14,18-19H,5-6,9-12H2,1-4H3;2*1H/t14?,18-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride has a molecular weight of 379.37 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride is sourced from PubChem (CID 171304751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).