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

C16H28Cl2N2O — CID 171296852

IUPAC1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1ccc(C(C)C)cc1[C@@H](C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H26N2O.2ClH/c1-12(2)14-5-6-16(19-4)15(11-14)13(3)18-9-7-17-8-10-18;;/h5-6,11-13,17H,7-10H2,1-4H3;2*1H/t13-;;/m1../s1
InChIKeyHRCSSVCFZPMDRJ-FFXKMJQXSA-N
MW335.32 g/mol
LogP3.63
Rot. Bonds4

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

1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171296852) has the molecular formula C16H28Cl2N2O and a molecular weight of 335.32 g/mol. Its IUPAC name is 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
PubChem CID171296852
Molecular FormulaC16H28Cl2N2O
Molecular Weight335.32 g/mol
Exact Mass334.16
IUPAC Name1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1ccc(C(C)C)cc1[C@@H](C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H26N2O.2ClH/c1-12(2)14-5-6-16(19-4)15(11-14)13(3)18-9-7-17-8-10-18;;/h5-6,11-13,17H,7-10H2,1-4H3;2*1H/t13-;;/m1../s1
InChIKeyHRCSSVCFZPMDRJ-FFXKMJQXSA-N
XLogP3.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
1-[(1S)-2,2-difluoro-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296858
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171164703
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304943
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine
CID 95480430
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311326
1-[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]piperazine
CID 92754399
1-[(R)-cyclobutyl-(2-methoxy-5-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
CID 171296863
1-[(1S)-1-(2-methoxy-5-propan-2-ylphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171284240
1-[(R)-(2-methoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171284248
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride (CID 171296852) is 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride is COc1ccc(C(C)C)cc1[C@@H](C)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is HRCSSVCFZPMDRJ-FFXKMJQXSA-N. The full InChI is InChI=1S/C16H26N2O.2ClH/c1-12(2)14-5-6-16(19-4)15(11-14)13(3)18-9-7-17-8-10-18;;/h5-6,11-13,17H,7-10H2,1-4H3;2*1H/t13-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 335.32 g/mol, XLogP of 3.63, 4 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)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171296852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).