1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride

C21H30Cl2N2O3 — CID 2867463

IUPAC1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
SMILESCOc1ccc(OCC(O)CN2CCN(Cc3ccccc3)CC2)cc1.Cl.Cl
InChIInChI=1S/C21H28N2O3.2ClH/c1-25-20-7-9-21(10-8-20)26-17-19(24)16-23-13-11-22(12-14-23)15-18-5-3-2-4-6-18;;/h2-10,19,24H,11-17H2,1H3;2*1H
InChIKeyWICDCXFSIJQBKN-UHFFFAOYSA-N
MW429.39 g/mol
LogP3.10
Rot. Bonds8

About 1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride

1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride (PubChem CID 2867463) has the molecular formula C21H30Cl2N2O3 and a molecular weight of 429.39 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
PubChem CID2867463
Molecular FormulaC21H30Cl2N2O3
Molecular Weight429.39 g/mol
Exact Mass428.16
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
SMILESCOc1ccc(OCC(O)CN2CCN(Cc3ccccc3)CC2)cc1.Cl.Cl
InChIInChI=1S/C21H28N2O3.2ClH/c1-25-20-7-9-21(10-8-20)26-17-19(24)16-23-13-11-22(12-14-23)15-18-5-3-2-4-6-18;;/h2-10,19,24H,11-17H2,1H3;2*1H
InChIKeyWICDCXFSIJQBKN-UHFFFAOYSA-N
XLogP3.10
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzylpiperazin-1-yl)-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 18593233
1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol;dihydrochloride
CID 2867039
1-(4-methoxyphenoxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3388778
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
CID 55466655
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 1109343
1-(4-benzylpiperazin-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol dichloride
CID 21237844
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 71960280
1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3747847
1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;dihydrochloride
CID 2919190
[4-[(2S)-3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-(4-chlorophenyl)methanone
CID 28822766
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 4729498

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride (CID 2867463) is 1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride is COc1ccc(OCC(O)CN2CCN(Cc3ccccc3)CC2)cc1.Cl.Cl.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride?
The InChIKey is WICDCXFSIJQBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3.2ClH/c1-25-20-7-9-21(10-8-20)26-17-19(24)16-23-13-11-22(12-14-23)15-18-5-3-2-4-6-18;;/h2-10,19,24H,11-17H2,1H3;2*1H.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride?
1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride has a molecular weight of 429.39 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride is sourced from PubChem (CID 2867463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).