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

C22H32Cl2N2O2 — CID 2769805

IUPAC1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride
SMILESCCCc1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1.Cl.Cl
InChIInChI=1S/C22H30N2O2.2ClH/c1-2-6-19-9-11-22(12-10-19)26-18-21(25)17-23-13-15-24(16-14-23)20-7-4-3-5-8-20;;/h3-5,7-12,21,25H,2,6,13-18H2,1H3;2*1H
InChIKeyWWOVHEYBRINEQJ-UHFFFAOYSA-N
MW427.42 g/mol
LogP4.04
Rot. Bonds8

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

1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride (PubChem CID 2769805) has the molecular formula C22H32Cl2N2O2 and a molecular weight of 427.42 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride
PubChem CID2769805
Molecular FormulaC22H32Cl2N2O2
Molecular Weight427.42 g/mol
Exact Mass426.18
IUPAC Name1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride
SMILESCCCc1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1.Cl.Cl
InChIInChI=1S/C22H30N2O2.2ClH/c1-2-6-19-9-11-22(12-10-19)26-18-21(25)17-23-13-15-24(16-14-23)20-7-4-3-5-8-20;;/h3-5,7-12,21,25H,2,6,13-18H2,1H3;2*1H
InChIKeyWWOVHEYBRINEQJ-UHFFFAOYSA-N
XLogP4.04
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 722988
(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
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-propylphenoxy)propan-2-ol
CID 1039014
1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 2769804
(2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 1177221
1-[4-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one
CID 7060493
1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
CID 53352471
1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride
CID 21237668
1-(3,4-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2882985
4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzonitrile
CID 31061142
ethyl 4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzoate
CID 46664174

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride (CID 2769805) is 1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride is CCCc1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1.Cl.Cl.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride?
The InChIKey is WWOVHEYBRINEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2.2ClH/c1-2-6-19-9-11-22(12-10-19)26-18-21(25)17-23-13-15-24(16-14-23)20-7-4-3-5-8-20;;/h3-5,7-12,21,25H,2,6,13-18H2,1H3;2*1H.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride?
1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride has a molecular weight of 427.42 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride is sourced from PubChem (CID 2769805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).