4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol

C18H24N2O4 — CID 3744667

IUPAC4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(CC(O)COCc3ccco3)CC2)cc1
InChIInChI=1S/C18H24N2O4/c21-16-5-3-15(4-6-16)20-9-7-19(8-10-20)12-17(22)13-23-14-18-2-1-11-24-18/h1-6,11,17,21-22H,7-10,12-14H2
InChIKeySRRWSKDJYIUUFT-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.68
Rot. Bonds7

About 4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol

4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol (PubChem CID 3744667) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol
PubChem CID3744667
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(CC(O)COCc3ccco3)CC2)cc1
InChIInChI=1S/C18H24N2O4/c21-16-5-3-15(4-6-16)20-9-7-19(8-10-20)12-17(22)13-23-14-18-2-1-11-24-18/h1-6,11,17,21-22H,7-10,12-14H2
InChIKeySRRWSKDJYIUUFT-UHFFFAOYSA-N
XLogP1.68
TPSA69.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol
CID 3681676
(2S)-1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 942774
1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2771920
4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol
CID 110877541
1-(furan-2-ylmethoxy)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 111116661
1-(8-azaspiro[4.5]decan-8-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 111437430
(2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95313186
1-(furan-2-ylmethoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
CID 3852420
4-(4-bromophenyl)-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-4-ol
CID 3754056
(2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95271858
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol;oxalic acid
CID 15945140
1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 47005306

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol (CID 3744667) is 4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(CC(O)COCc3ccco3)CC2)cc1.
What is the InChIKey of 4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol?
The InChIKey is SRRWSKDJYIUUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-16-5-3-15(4-6-16)20-9-7-19(8-10-20)12-17(22)13-23-14-18-2-1-11-24-18/h1-6,11,17,21-22H,7-10,12-14H2.
What are the key properties of 4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol?
4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol has a molecular weight of 332.40 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol is sourced from PubChem (CID 3744667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).