1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride

C19H34Cl2N2O — CID 171304943

IUPAC1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride
SMILESCCC(C)[C@H](c1cc(C(C)C)ccc1OC)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H32N2O.2ClH/c1-6-15(4)19(21-11-9-20-10-12-21)17-13-16(14(2)3)7-8-18(17)22-5;;/h7-8,13-15,19-20H,6,9-12H2,1-5H3;2*1H/t15?,19-;;/m1../s1
InChIKeyNHTKTXQURNWVGY-RHQYOKNZSA-N
MW377.40 g/mol
LogP4.65
Rot. Bonds6

About 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride

1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride (PubChem CID 171304943) has the molecular formula C19H34Cl2N2O and a molecular weight of 377.40 g/mol. Its IUPAC name is 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride
PubChem CID171304943
Molecular FormulaC19H34Cl2N2O
Molecular Weight377.40 g/mol
Exact Mass376.20
IUPAC Name1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride
SMILESCCC(C)[C@H](c1cc(C(C)C)ccc1OC)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H32N2O.2ClH/c1-6-15(4)19(21-11-9-20-10-12-21)17-13-16(14(2)3)7-8-18(17)22-5;;/h7-8,13-15,19-20H,6,9-12H2,1-5H3;2*1H/t15?,19-;;/m1../s1
InChIKeyNHTKTXQURNWVGY-RHQYOKNZSA-N
XLogP4.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-2,2-difluoro-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296858
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine
CID 95480430
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296852
1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304751
1-[(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-methylbutyl]piperazine;dihydrochloride
CID 171305433
1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-methylbutyl]piperazine;dihydrochloride
CID 171304667
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304379
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311326
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride
CID 171308476
1-[(1S)-1-(3-bromo-4-methoxyphenyl)-2-methylbutyl]piperazine
CID 171305332
1-[(1R)-2-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine
CID 171304304
1-[(1S)-1-(2-methoxy-5-propan-2-ylphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171284240

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride (CID 171304943) is 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride is CCC(C)[C@H](c1cc(C(C)C)ccc1OC)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride?
The InChIKey is NHTKTXQURNWVGY-RHQYOKNZSA-N. The full InChI is InChI=1S/C19H32N2O.2ClH/c1-6-15(4)19(21-11-9-20-10-12-21)17-13-16(14(2)3)7-8-18(17)22-5;;/h7-8,13-15,19-20H,6,9-12H2,1-5H3;2*1H/t15?,19-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride has a molecular weight of 377.40 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride is sourced from PubChem (CID 171304943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).