1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride

C20H28Cl2N2O — CID 171281105

IUPAC1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1ccc(OCc2ccccc2)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C20H26N2O.2ClH/c1-2-20(22-14-12-21-13-15-22)18-8-10-19(11-9-18)23-16-17-6-4-3-5-7-17;;/h3-11,20-21H,2,12-16H2,1H3;2*1H/t20-;;/m0../s1
InChIKeyAQVFWAYKGGSGJX-FJSYBICCSA-N
MW383.36 g/mol
LogP4.47
Rot. Bonds6

About 1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride

1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride (PubChem CID 171281105) has the molecular formula C20H28Cl2N2O and a molecular weight of 383.36 g/mol. Its IUPAC name is 1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
PubChem CID171281105
Molecular FormulaC20H28Cl2N2O
Molecular Weight383.36 g/mol
Exact Mass382.16
IUPAC Name1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1ccc(OCc2ccccc2)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C20H26N2O.2ClH/c1-2-20(22-14-12-21-13-15-22)18-8-10-19(11-9-18)23-16-17-6-4-3-5-7-17;;/h3-11,20-21H,2,12-16H2,1H3;2*1H/t20-;;/m0../s1
InChIKeyAQVFWAYKGGSGJX-FJSYBICCSA-N
XLogP4.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183535
(3R)-3-(4-phenylmethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171307026
1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171281131
1-[1-(4-ethoxyphenyl)propyl]piperazine
CID 3597592
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171282997
1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763712
1-[(1S)-2,2,2-trifluoro-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171293730
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
(3R)-2,2-dimethyl-3-(4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171190739
1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3765974
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171295579

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride (CID 171281105) is 1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride is CC[C@@H](c1ccc(OCc2ccccc2)cc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride?
The InChIKey is AQVFWAYKGGSGJX-FJSYBICCSA-N. The full InChI is InChI=1S/C20H26N2O.2ClH/c1-2-20(22-14-12-21-13-15-22)18-8-10-19(11-9-18)23-16-17-6-4-3-5-7-17;;/h3-11,20-21H,2,12-16H2,1H3;2*1H/t20-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride?
1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride has a molecular weight of 383.36 g/mol, XLogP of 4.47, 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-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride is sourced from PubChem (CID 171281105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).