3-[4-[2-hydroxy-3-[4-(3-hydroxypropyl)piperazin-1-yl]propoxy]naphthalen-1-yl]phenol

C26H32N2O4 — CID 176506893

IUPAC3-[4-[2-hydroxy-3-[4-(3-hydroxypropyl)piperazin-1-yl]propoxy]naphthalen-1-yl]phenol
SMILESOCCCN1CCN(CC(O)COc2ccc(-c3cccc(O)c3)c3ccccc23)CC1
InChIInChI=1S/C26H32N2O4/c29-16-4-11-27-12-14-28(15-13-27)18-22(31)19-32-26-10-9-23(20-5-3-6-21(30)17-20)24-7-1-2-8-25(24)26/h1-3,5-10,17,22,29-31H,4,11-16,18-19H2
InChIKeyGXSWCIPIRMSHPY-UHFFFAOYSA-N
MW436.55 g/mol
LogP2.95
Rot. Bonds9

About 3-[4-[2-hydroxy-3-[4-(3-hydroxypropyl)piperazin-1-yl]propoxy]naphthalen-1-yl]phenol

3-[4-[2-hydroxy-3-[4-(3-hydroxypropyl)piperazin-1-yl]propoxy]naphthalen-1-yl]phenol (PubChem CID 176506893) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 3-[4-[2-hydroxy-3-[4-(3-hydroxypropyl)piperazin-1-yl]propoxy]naphthalen-1-yl]phenol.

Molecular Properties

Compound Name3-[4-[2-hydroxy-3-[4-(3-hydroxypropyl)piperazin-1-yl]propoxy]naphthalen-1-yl]phenol
PubChem CID176506893
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name3-[4-[2-hydroxy-3-[4-(3-hydroxypropyl)piperazin-1-yl]propoxy]naphthalen-1-yl]phenol
SMILESOCCCN1CCN(CC(O)COc2ccc(-c3cccc(O)c3)c3ccccc23)CC1
InChIInChI=1S/C26H32N2O4/c29-16-4-11-27-12-14-28(15-13-27)18-22(31)19-32-26-10-9-23(20-5-3-6-21(30)17-20)24-7-1-2-8-25(24)26/h1-3,5-10,17,22,29-31H,4,11-16,18-19H2
InChIKeyGXSWCIPIRMSHPY-UHFFFAOYSA-N
XLogP2.95
TPSA76.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-phenylnaphthalen-1-yl)oxy-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-2-ol
CID 176505165
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-phenylphenoxy)propan-2-ol
CID 43842332
methyl 4-[2-hydroxy-3-(4-pyridin-4-ylnaphthalen-1-yl)oxypropyl]piperazine-1-carboxylate
CID 176505870
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol
CID 29169851
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 2938679
1-(2,6-dimethoxyphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 3522870
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
1-(2,6-dimethoxyphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 16806863
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 6602971
2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 166320728
1-(2,6-dimethylphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2866483
(2S)-1-(4-chloronaphthalen-1-yl)oxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 8669464

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-hydroxy-3-[4-(3-hydroxypropyl)piperazin-1-yl]propoxy]naphthalen-1-yl]phenol?
The IUPAC name of 3-[4-[2-hydroxy-3-[4-(3-hydroxypropyl)piperazin-1-yl]propoxy]naphthalen-1-yl]phenol (CID 176506893) is 3-[4-[2-hydroxy-3-[4-(3-hydroxypropyl)piperazin-1-yl]propoxy]naphthalen-1-yl]phenol.
What is the SMILES notation for 3-[4-[2-hydroxy-3-[4-(3-hydroxypropyl)piperazin-1-yl]propoxy]naphthalen-1-yl]phenol?
The canonical SMILES for 3-[4-[2-hydroxy-3-[4-(3-hydroxypropyl)piperazin-1-yl]propoxy]naphthalen-1-yl]phenol is OCCCN1CCN(CC(O)COc2ccc(-c3cccc(O)c3)c3ccccc23)CC1.
What is the InChIKey of 3-[4-[2-hydroxy-3-[4-(3-hydroxypropyl)piperazin-1-yl]propoxy]naphthalen-1-yl]phenol?
The InChIKey is GXSWCIPIRMSHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c29-16-4-11-27-12-14-28(15-13-27)18-22(31)19-32-26-10-9-23(20-5-3-6-21(30)17-20)24-7-1-2-8-25(24)26/h1-3,5-10,17,22,29-31H,4,11-16,18-19H2.
What are the key properties of 3-[4-[2-hydroxy-3-[4-(3-hydroxypropyl)piperazin-1-yl]propoxy]naphthalen-1-yl]phenol?
3-[4-[2-hydroxy-3-[4-(3-hydroxypropyl)piperazin-1-yl]propoxy]naphthalen-1-yl]phenol has a molecular weight of 436.55 g/mol, XLogP of 2.95, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-hydroxy-3-[4-(3-hydroxypropyl)piperazin-1-yl]propoxy]naphthalen-1-yl]phenol is sourced from PubChem (CID 176506893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).