4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylnaphthalen-1-ol;dihydrochloride

C23H29Cl2N3O3 — CID 22625395

IUPAC4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylnaphthalen-1-ol;dihydrochloride
SMILESCc1cc(OCC(O)CN2CCN(c3ccccn3)CC2)c2ccccc2c1O.Cl.Cl
InChIInChI=1S/C23H27N3O3.2ClH/c1-17-14-21(19-6-2-3-7-20(19)23(17)28)29-16-18(27)15-25-10-12-26(13-11-25)22-8-4-5-9-24-22;;/h2-9,14,18,27-28H,10-13,15-16H2,1H3;2*1H
InChIKeyIPWGLHUCCLHBRJ-UHFFFAOYSA-N
MW466.41 g/mol
LogP3.65
Rot. Bonds6

About 4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylnaphthalen-1-ol;dihydrochloride

4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylnaphthalen-1-ol;dihydrochloride (PubChem CID 22625395) has the molecular formula C23H29Cl2N3O3 and a molecular weight of 466.41 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylnaphthalen-1-ol;dihydrochloride.

Molecular Properties

Compound Name4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylnaphthalen-1-ol;dihydrochloride
PubChem CID22625395
Molecular FormulaC23H29Cl2N3O3
Molecular Weight466.41 g/mol
Exact Mass465.16
IUPAC Name4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylnaphthalen-1-ol;dihydrochloride
SMILESCc1cc(OCC(O)CN2CCN(c3ccccn3)CC2)c2ccccc2c1O.Cl.Cl
InChIInChI=1S/C23H27N3O3.2ClH/c1-17-14-21(19-6-2-3-7-20(19)23(17)28)29-16-18(27)15-25-10-12-26(13-11-25)22-8-4-5-9-24-22;;/h2-9,14,18,27-28H,10-13,15-16H2,1H3;2*1H
InChIKeyIPWGLHUCCLHBRJ-UHFFFAOYSA-N
XLogP3.65
TPSA69.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(2,6-dimethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 878689
1-(4-chloro-3,5-dimethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol dichloride
CID 21237902
1-naphthalen-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 24836839
1-(2,4-dichlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2918767
1-naphthalen-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3409821
1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3774471
1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3863720
1-(4-propan-2-ylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2882133
7-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-3,4,8-trimethylchromen-2-one
CID 51703492
1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride
CID 53351867
(2R)-1-(4-bromophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 1311309
1-(4-phenylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2940158

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylnaphthalen-1-ol;dihydrochloride?
The IUPAC name of 4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylnaphthalen-1-ol;dihydrochloride (CID 22625395) is 4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylnaphthalen-1-ol;dihydrochloride.
What is the SMILES notation for 4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylnaphthalen-1-ol;dihydrochloride?
The canonical SMILES for 4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylnaphthalen-1-ol;dihydrochloride is Cc1cc(OCC(O)CN2CCN(c3ccccn3)CC2)c2ccccc2c1O.Cl.Cl.
What is the InChIKey of 4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylnaphthalen-1-ol;dihydrochloride?
The InChIKey is IPWGLHUCCLHBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3.2ClH/c1-17-14-21(19-6-2-3-7-20(19)23(17)28)29-16-18(27)15-25-10-12-26(13-11-25)22-8-4-5-9-24-22;;/h2-9,14,18,27-28H,10-13,15-16H2,1H3;2*1H.
What are the key properties of 4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylnaphthalen-1-ol;dihydrochloride?
4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylnaphthalen-1-ol;dihydrochloride has a molecular weight of 466.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylnaphthalen-1-ol;dihydrochloride is sourced from PubChem (CID 22625395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).