3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol

C16H20N2O2 — CID 166193246

IUPAC3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol
SMILESOc1cccc(CN2CCN(Cc3ccco3)CC2)c1
InChIInChI=1S/C16H20N2O2/c19-15-4-1-3-14(11-15)12-17-6-8-18(9-7-17)13-16-5-2-10-20-16/h1-5,10-11,19H,6-9,12-13H2
InChIKeyRNECHZJCELDBFA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.30
Rot. Bonds4

About 3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol

3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol (PubChem CID 166193246) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol
PubChem CID166193246
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol
SMILESOc1cccc(CN2CCN(Cc3ccco3)CC2)c1
InChIInChI=1S/C16H20N2O2/c19-15-4-1-3-14(11-15)12-17-6-8-18(9-7-17)13-16-5-2-10-20-16/h1-5,10-11,19H,6-9,12-13H2
InChIKeyRNECHZJCELDBFA-UHFFFAOYSA-N
XLogP2.30
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 3650083
3-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 46914618
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897
3-[[4-(2-bromoethyl)piperazin-1-yl]methyl]phenol
CID 80673903
1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
CID 772071
1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
CID 163326430
1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 771867
1-(furan-2-ylmethyl)-4-(3-phenylpropyl)piperazine
CID 740969
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol
CID 2838458
1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 75396630
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol (CID 166193246) is 3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol is Oc1cccc(CN2CCN(Cc3ccco3)CC2)c1.
What is the InChIKey of 3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol?
The InChIKey is RNECHZJCELDBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15-4-1-3-14(11-15)12-17-6-8-18(9-7-17)13-16-5-2-10-20-16/h1-5,10-11,19H,6-9,12-13H2.
What are the key properties of 3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol?
3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol has a molecular weight of 272.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 166193246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).