3-benzyl-1-(furan-2-ylmethyl)piperazine

C16H20N2O — CID 64924799

IUPAC3-benzyl-1-(furan-2-ylmethyl)piperazine
SMILESc1ccc(CC2CN(Cc3ccco3)CCN2)cc1
InChIInChI=1S/C16H20N2O/c1-2-5-14(6-3-1)11-15-12-18(9-8-17-15)13-16-7-4-10-19-16/h1-7,10,15,17H,8-9,11-13H2
InChIKeyZCYPGYBEUAEXNS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.30
Rot. Bonds4

About 3-benzyl-1-(furan-2-ylmethyl)piperazine

3-benzyl-1-(furan-2-ylmethyl)piperazine (PubChem CID 64924799) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-benzyl-1-(furan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name3-benzyl-1-(furan-2-ylmethyl)piperazine
PubChem CID64924799
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-benzyl-1-(furan-2-ylmethyl)piperazine
SMILESc1ccc(CC2CN(Cc3ccco3)CCN2)cc1
InChIInChI=1S/C16H20N2O/c1-2-5-14(6-3-1)11-15-12-18(9-8-17-15)13-16-7-4-10-19-16/h1-7,10,15,17H,8-9,11-13H2
InChIKeyZCYPGYBEUAEXNS-UHFFFAOYSA-N
XLogP2.30
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[[(2R)-4-benzylpiperazin-2-yl]methyl]benzonitrile
CID 59325125
4-[(3-benzylpiperazin-1-yl)methyl]benzoic acid
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3-benzyl-1-(2-methylpropyl)piperazine
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CID 106408561
3-[[(3S)-3-benzylpiperazin-1-yl]methyl]benzoic acid;hydrochloride
CID 146013000
3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 64953194
3-benzyl-1-[(E)-but-2-enyl]piperazine
CID 107897866
(3R)-1-benzyl-3-ethylpiperazine
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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(furan-2-ylmethyl)piperazine?
The IUPAC name of 3-benzyl-1-(furan-2-ylmethyl)piperazine (CID 64924799) is 3-benzyl-1-(furan-2-ylmethyl)piperazine.
What is the SMILES notation for 3-benzyl-1-(furan-2-ylmethyl)piperazine?
The canonical SMILES for 3-benzyl-1-(furan-2-ylmethyl)piperazine is c1ccc(CC2CN(Cc3ccco3)CCN2)cc1.
What is the InChIKey of 3-benzyl-1-(furan-2-ylmethyl)piperazine?
The InChIKey is ZCYPGYBEUAEXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-5-14(6-3-1)11-15-12-18(9-8-17-15)13-16-7-4-10-19-16/h1-7,10,15,17H,8-9,11-13H2.
What are the key properties of 3-benzyl-1-(furan-2-ylmethyl)piperazine?
3-benzyl-1-(furan-2-ylmethyl)piperazine has a molecular weight of 256.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(furan-2-ylmethyl)piperazine is sourced from PubChem (CID 64924799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).