1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine

C16H18F2N2O — CID 3650083

IUPAC1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine
SMILESFc1ccc(CN2CCN(Cc3ccco3)CC2)cc1F
InChIInChI=1S/C16H18F2N2O/c17-15-4-3-13(10-16(15)18)11-19-5-7-20(8-6-19)12-14-2-1-9-21-14/h1-4,9-10H,5-8,11-12H2
InChIKeyGBTOQEWLTSEXIO-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.88
Rot. Bonds4

About 1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine

1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine (PubChem CID 3650083) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine
PubChem CID3650083
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine
SMILESFc1ccc(CN2CCN(Cc3ccco3)CC2)cc1F
InChIInChI=1S/C16H18F2N2O/c17-15-4-3-13(10-16(15)18)11-19-5-7-20(8-6-19)12-14-2-1-9-21-14/h1-4,9-10H,5-8,11-12H2
InChIKeyGBTOQEWLTSEXIO-UHFFFAOYSA-N
XLogP2.88
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
CID 17374335
1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
CID 772071
1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 771867
3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 166193246
4-fluoro-3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]benzonitrile
CID 56810591
1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
CID 163326430
3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine
CID 22689734
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 59805850
1-[(4-ethylsulfanylphenyl)methyl]-4-(furan-2-ylmethyl)-1,4-diazepane
CID 3824106
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106373

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine (CID 3650083) is 1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine is Fc1ccc(CN2CCN(Cc3ccco3)CC2)cc1F.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine?
The InChIKey is GBTOQEWLTSEXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c17-15-4-3-13(10-16(15)18)11-19-5-7-20(8-6-19)12-14-2-1-9-21-14/h1-4,9-10H,5-8,11-12H2.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine?
1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine has a molecular weight of 292.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine is sourced from PubChem (CID 3650083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).