1-(furan-2-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine

C19H26N2O2 — CID 23958927

IUPAC1-(furan-2-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine
SMILESCOc1cc(C)c(CN2CCN(Cc3ccco3)CC2)cc1C
InChIInChI=1S/C19H26N2O2/c1-15-12-19(22-3)16(2)11-17(15)13-20-6-8-21(9-7-20)14-18-5-4-10-23-18/h4-5,10-12H,6-9,13-14H2,1-3H3
InChIKeyRNAICOPEKQDBPN-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.22
Rot. Bonds5

About 1-(furan-2-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine

1-(furan-2-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine (PubChem CID 23958927) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine
PubChem CID23958927
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-(furan-2-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine
SMILESCOc1cc(C)c(CN2CCN(Cc3ccco3)CC2)cc1C
InChIInChI=1S/C19H26N2O2/c1-15-12-19(22-3)16(2)11-17(15)13-20-6-8-21(9-7-20)14-18-5-4-10-23-18/h4-5,10-12H,6-9,13-14H2,1-3H3
InChIKeyRNAICOPEKQDBPN-UHFFFAOYSA-N
XLogP3.22
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 771905
1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 771936
1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine
CID 2846019
1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
CID 163326430
1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 126476688
1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
CID 772071
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 16888199
7-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 29208717
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
(2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 90483280
1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine
CID 135096544

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine?
The IUPAC name of 1-(furan-2-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine (CID 23958927) is 1-(furan-2-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine is COc1cc(C)c(CN2CCN(Cc3ccco3)CC2)cc1C.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine?
The InChIKey is RNAICOPEKQDBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-15-12-19(22-3)16(2)11-17(15)13-20-6-8-21(9-7-20)14-18-5-4-10-23-18/h4-5,10-12H,6-9,13-14H2,1-3H3.
What are the key properties of 1-(furan-2-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine?
1-(furan-2-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine has a molecular weight of 314.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine is sourced from PubChem (CID 23958927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).