1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride

C22H30Cl2N2O — CID 171281131

IUPAC1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.c1ccc(COc2ccc([C@H](CC3CC3)N3CCNCC3)cc2)cc1
InChIInChI=1S/C22H28N2O.2ClH/c1-2-4-19(5-3-1)17-25-21-10-8-20(9-11-21)22(16-18-6-7-18)24-14-12-23-13-15-24;;/h1-5,8-11,18,22-23H,6-7,12-17H2;2*1H/t22-;;/m0../s1
InChIKeySZPCRBSIHVBWSL-IKXQUJFKSA-N
MW409.40 g/mol
LogP4.86
Rot. Bonds7

About 1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride

1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171281131) has the molecular formula C22H30Cl2N2O and a molecular weight of 409.40 g/mol. Its IUPAC name is 1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
PubChem CID171281131
Molecular FormulaC22H30Cl2N2O
Molecular Weight409.40 g/mol
Exact Mass408.17
IUPAC Name1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.c1ccc(COc2ccc([C@H](CC3CC3)N3CCNCC3)cc2)cc1
InChIInChI=1S/C22H28N2O.2ClH/c1-2-4-19(5-3-1)17-25-21-10-8-20(9-11-21)22(16-18-6-7-18)24-14-12-23-13-15-24;;/h1-5,8-11,18,22-23H,6-7,12-17H2;2*1H/t22-;;/m0../s1
InChIKeySZPCRBSIHVBWSL-IKXQUJFKSA-N
XLogP4.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 54.86
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
1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171281105
(3R)-3-(4-phenylmethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171307026
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292166
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine
CID 171292165
4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285197
[4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
CID 171279042
1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171282985
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171288682
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
1-[(1S)-2,2,2-trifluoro-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171293730
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine
CID 171288681

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride (CID 171281131) is 1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride is Cl.Cl.c1ccc(COc2ccc([C@H](CC3CC3)N3CCNCC3)cc2)cc1.
What is the InChIKey of 1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is SZPCRBSIHVBWSL-IKXQUJFKSA-N. The full InChI is InChI=1S/C22H28N2O.2ClH/c1-2-4-19(5-3-1)17-25-21-10-8-20(9-11-21)22(16-18-6-7-18)24-14-12-23-13-15-24;;/h1-5,8-11,18,22-23H,6-7,12-17H2;2*1H/t22-;;/m0../s1.
What are the key properties of 1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride?
1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 409.40 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171281131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).