1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride

C14H24Cl2N2 — CID 171294154

IUPAC1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
SMILESCC[C@H](c1ccc(C)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H22N2.2ClH/c1-3-14(16-10-8-15-9-11-16)13-6-4-12(2)5-7-13;;/h4-7,14-15H,3,8-11H2,1-2H3;2*1H/t14-;;/m1../s1
InChIKeyBGBKOBIVGMSRNT-FMOMHUKBSA-N
MW291.27 g/mol
LogP3.19
Rot. Bonds3

About 1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride

1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride (PubChem CID 171294154) has the molecular formula C14H24Cl2N2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
PubChem CID171294154
Molecular FormulaC14H24Cl2N2
Molecular Weight291.27 g/mol
Exact Mass290.13
IUPAC Name1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
SMILESCC[C@H](c1ccc(C)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H22N2.2ClH/c1-3-14(16-10-8-15-9-11-16)13-6-4-12(2)5-7-13;;/h4-7,14-15H,3,8-11H2,1-2H3;2*1H/t14-;;/m1../s1
InChIKeyBGBKOBIVGMSRNT-FMOMHUKBSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 28798751
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
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CID 82079666
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
4-[(1S)-1-piperazin-1-ylpropyl]benzonitrile;dihydrochloride
CID 171272506
1-[(1S)-4,4,4-trifluoro-1-(4-methylphenyl)butyl]piperazine;dihydrochloride
CID 171303015
1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride
CID 171167100
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[1-(4-ethoxyphenyl)propyl]piperazine
CID 3597592
1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine
CID 171294160
1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171277140
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CID 171285097

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride (CID 171294154) is 1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride is CC[C@H](c1ccc(C)cc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride?
The InChIKey is BGBKOBIVGMSRNT-FMOMHUKBSA-N. The full InChI is InChI=1S/C14H22N2.2ClH/c1-3-14(16-10-8-15-9-11-16)13-6-4-12(2)5-7-13;;/h4-7,14-15H,3,8-11H2,1-2H3;2*1H/t14-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride?
1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride has a molecular weight of 291.27 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride is sourced from PubChem (CID 171294154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).