1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride

C17H30Cl2N2O — CID 171309970

IUPAC1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@H](CCC(C)C)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C17H28N2O.2ClH/c1-14(2)4-9-17(19-12-10-18-11-13-19)15-5-7-16(20-3)8-6-15;;/h5-8,14,17-18H,4,9-13H2,1-3H3;2*1H/t17-;;/m0../s1
InChIKeyRGBSDFOWPAMNLZ-RMRYJAPISA-N
MW349.35 g/mol
LogP3.92
Rot. Bonds6

About 1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride

1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride (PubChem CID 171309970) has the molecular formula C17H30Cl2N2O and a molecular weight of 349.35 g/mol. Its IUPAC name is 1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
PubChem CID171309970
Molecular FormulaC17H30Cl2N2O
Molecular Weight349.35 g/mol
Exact Mass348.17
IUPAC Name1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@H](CCC(C)C)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C17H28N2O.2ClH/c1-14(2)4-9-17(19-12-10-18-11-13-19)15-5-7-16(20-3)8-6-15;;/h5-8,14,17-18H,4,9-13H2,1-3H3;2*1H/t17-;;/m0../s1
InChIKeyRGBSDFOWPAMNLZ-RMRYJAPISA-N
XLogP3.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine
CID 171310667
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181752
trimethyl-[4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenoxy]silane
CID 171311005
1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine
CID 171168617
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183352
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171175381
1-[(1S)-1-(2-bromo-5-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310148
1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine
CID 171309939
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine
CID 171175380
1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine
CID 171310273

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride (CID 171309970) is 1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride is COc1ccc([C@H](CCC(C)C)N2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride?
The InChIKey is RGBSDFOWPAMNLZ-RMRYJAPISA-N. The full InChI is InChI=1S/C17H28N2O.2ClH/c1-14(2)4-9-17(19-12-10-18-11-13-19)15-5-7-16(20-3)8-6-15;;/h5-8,14,17-18H,4,9-13H2,1-3H3;2*1H/t17-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride?
1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride has a molecular weight of 349.35 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171309970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).