1-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylpropan-2-ol;dihydrochloride

C21H30Cl2N2O2 — CID 3050035

IUPAC1-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylpropan-2-ol;dihydrochloride
SMILESCC(O)C(c1ccccc1)N1CCN(CCOc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C21H28N2O2.2ClH/c1-18(24)21(19-8-4-2-5-9-19)23-14-12-22(13-15-23)16-17-25-20-10-6-3-7-11-20;;/h2-11,18,21,24H,12-17H2,1H3;2*1H
InChIKeyDSRDJNNIXUSVJQ-UHFFFAOYSA-N
MW413.39 g/mol
LogP3.65
Rot. Bonds7

About 1-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylpropan-2-ol;dihydrochloride

1-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylpropan-2-ol;dihydrochloride (PubChem CID 3050035) has the molecular formula C21H30Cl2N2O2 and a molecular weight of 413.39 g/mol. Its IUPAC name is 1-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylpropan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylpropan-2-ol;dihydrochloride
PubChem CID3050035
Molecular FormulaC21H30Cl2N2O2
Molecular Weight413.39 g/mol
Exact Mass412.17
IUPAC Name1-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylpropan-2-ol;dihydrochloride
SMILESCC(O)C(c1ccccc1)N1CCN(CCOc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C21H28N2O2.2ClH/c1-18(24)21(19-8-4-2-5-9-19)23-14-12-22(13-15-23)16-17-25-20-10-6-3-7-11-20;;/h2-11,18,21,24H,12-17H2,1H3;2*1H
InChIKeyDSRDJNNIXUSVJQ-UHFFFAOYSA-N
XLogP3.65
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide
CID 77012516
1-[4-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-phenoxyethyl)piperazin-1-yl]propan-2-ol
CID 4234342
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 9348561
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 9259510
1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
CID 80674242
(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 78934419
2-[4-(3-phenoxypropyl)piperazin-1-yl]propanenitrile
CID 63339160
1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone
CID 91788757
1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
CID 47010456
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
CID 59135331

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylpropan-2-ol;dihydrochloride?
The IUPAC name of 1-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylpropan-2-ol;dihydrochloride (CID 3050035) is 1-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylpropan-2-ol;dihydrochloride.
What is the SMILES notation for 1-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylpropan-2-ol;dihydrochloride?
The canonical SMILES for 1-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylpropan-2-ol;dihydrochloride is CC(O)C(c1ccccc1)N1CCN(CCOc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 1-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylpropan-2-ol;dihydrochloride?
The InChIKey is DSRDJNNIXUSVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2.2ClH/c1-18(24)21(19-8-4-2-5-9-19)23-14-12-22(13-15-23)16-17-25-20-10-6-3-7-11-20;;/h2-11,18,21,24H,12-17H2,1H3;2*1H.
What are the key properties of 1-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylpropan-2-ol;dihydrochloride?
1-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylpropan-2-ol;dihydrochloride has a molecular weight of 413.39 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylpropan-2-ol;dihydrochloride is sourced from PubChem (CID 3050035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).