1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride

C15H26Cl2N2O — CID 171282575

IUPAC1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1ccc(OC)c(C)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H24N2O.2ClH/c1-4-14(17-9-7-16-8-10-17)13-5-6-15(18-3)12(2)11-13;;/h5-6,11,14,16H,4,7-10H2,1-3H3;2*1H/t14-;;/m0../s1
InChIKeyTYCSUKFOHMOJKX-UTLKBRERSA-N
MW321.29 g/mol
LogP3.20
Rot. Bonds4

About 1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride

1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride (PubChem CID 171282575) has the molecular formula C15H26Cl2N2O and a molecular weight of 321.29 g/mol. Its IUPAC name is 1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride
PubChem CID171282575
Molecular FormulaC15H26Cl2N2O
Molecular Weight321.29 g/mol
Exact Mass320.14
IUPAC Name1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1ccc(OC)c(C)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H24N2O.2ClH/c1-4-14(17-9-7-16-8-10-17)13-5-6-15(18-3)12(2)11-13;;/h5-6,11,14,16H,4,7-10H2,1-3H3;2*1H/t14-;;/m0../s1
InChIKeyTYCSUKFOHMOJKX-UTLKBRERSA-N
XLogP3.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine
CID 28798806
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride
CID 171303090
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171168816
1-[(1R)-3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)propyl]piperazine
CID 171172681
1-[(1R)-1-(4-methoxy-3-methylphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171295223
1-[(1S)-4,4,4-trifluoro-1-(4-methoxy-3-methylphenyl)butyl]piperazine
CID 171167255
[2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate
CID 171293547
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
1-[(1S)-1-(4-methoxy-3-methylphenyl)prop-2-enyl]piperazine
CID 171282576

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride (CID 171282575) is 1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride is CC[C@@H](c1ccc(OC)c(C)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride?
The InChIKey is TYCSUKFOHMOJKX-UTLKBRERSA-N. The full InChI is InChI=1S/C15H24N2O.2ClH/c1-4-14(17-9-7-16-8-10-17)13-5-6-15(18-3)12(2)11-13;;/h5-6,11,14,16H,4,7-10H2,1-3H3;2*1H/t14-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride?
1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride has a molecular weight of 321.29 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride is sourced from PubChem (CID 171282575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).