1-(2-butan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride

C23H34Cl2N2O2 — CID 16807023

IUPAC1-(2-butan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
SMILESCCC(C)c1ccccc1OCC(O)CN1CCN(c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C23H32N2O2.2ClH/c1-3-19(2)22-11-7-8-12-23(22)27-18-21(26)17-24-13-15-25(16-14-24)20-9-5-4-6-10-20;;/h4-12,19,21,26H,3,13-18H2,1-2H3;2*1H
InChIKeyWSTXIQSLXQXPKX-UHFFFAOYSA-N
MW441.44 g/mol
LogP4.61
Rot. Bonds8

About 1-(2-butan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride

1-(2-butan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride (PubChem CID 16807023) has the molecular formula C23H34Cl2N2O2 and a molecular weight of 441.44 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(2-butan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
PubChem CID16807023
Molecular FormulaC23H34Cl2N2O2
Molecular Weight441.44 g/mol
Exact Mass440.20
IUPAC Name1-(2-butan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
SMILESCCC(C)c1ccccc1OCC(O)CN1CCN(c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C23H32N2O2.2ClH/c1-3-19(2)22-11-7-8-12-23(22)27-18-21(26)17-24-13-15-25(16-14-24)20-9-5-4-6-10-20;;/h4-12,19,21,26H,3,13-18H2,1-2H3;2*1H
InChIKeyWSTXIQSLXQXPKX-UHFFFAOYSA-N
XLogP4.61
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-butan-2-ylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 4093852
1-(4-benzhydrylpiperazin-1-yl)-3-(2-butan-2-ylphenoxy)propan-2-ol;dihydrochloride
CID 171155114
(2S)-1-(4-benzylpiperazin-1-yl)-3-[2-[(2S)-butan-2-yl]phenoxy]propan-2-ol
CID 30687450
(2R)-1-(4-benzylpiperazin-1-yl)-3-[2-[(2R)-butan-2-yl]phenoxy]propan-2-ol
CID 30687421
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[2-(1-methoxy-3-phenylpropyl)phenoxy]propan-2-ol;dihydrochloride
CID 10347548
1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3488317
(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 722988
1-(2,4-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dichloride
CID 21237602
1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride
CID 2769805
1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2882652

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The IUPAC name of 1-(2-butan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride (CID 16807023) is 1-(2-butan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(2-butan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-(2-butan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride is CCC(C)c1ccccc1OCC(O)CN1CCN(c2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 1-(2-butan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The InChIKey is WSTXIQSLXQXPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2.2ClH/c1-3-19(2)22-11-7-8-12-23(22)27-18-21(26)17-24-13-15-25(16-14-24)20-9-5-4-6-10-20;;/h4-12,19,21,26H,3,13-18H2,1-2H3;2*1H.
What are the key properties of 1-(2-butan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride?
1-(2-butan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride has a molecular weight of 441.44 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride is sourced from PubChem (CID 16807023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).