1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride

C18H25ClN2O3 — CID 163326430

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
SMILESCOc1cc(CN2CCN(Cc3ccco3)CC2)cc(OC)c1.Cl
InChIInChI=1S/C18H24N2O3.ClH/c1-21-17-10-15(11-18(12-17)22-2)13-19-5-7-20(8-6-19)14-16-4-3-9-23-16;/h3-4,9-12H,5-8,13-14H2,1-2H3;1H
InChIKeyVAGZDPSCVKPUJA-UHFFFAOYSA-N
MW352.86 g/mol
LogP3.04
Rot. Bonds6

About 1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride

1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride (PubChem CID 163326430) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
PubChem CID163326430
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
SMILESCOc1cc(CN2CCN(Cc3ccco3)CC2)cc(OC)c1.Cl
InChIInChI=1S/C18H24N2O3.ClH/c1-21-17-10-15(11-18(12-17)22-2)13-19-5-7-20(8-6-19)14-16-4-3-9-23-16;/h3-4,9-12H,5-8,13-14H2,1-2H3;1H
InChIKeyVAGZDPSCVKPUJA-UHFFFAOYSA-N
XLogP3.04
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol
CID 97039032
1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 771905
1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
CID 772071
1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine
CID 135096544
1-(furan-2-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine
CID 23958927
1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 3650083
3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 166193246
(2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 46684611
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
1,4,7-tris[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methyl]-1,4,7-triazonane
CID 100958899
1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 771936
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide
CID 16888256

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride (CID 163326430) is 1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride is COc1cc(CN2CCN(Cc3ccco3)CC2)cc(OC)c1.Cl.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride?
The InChIKey is VAGZDPSCVKPUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3.ClH/c1-21-17-10-15(11-18(12-17)22-2)13-19-5-7-20(8-6-19)14-16-4-3-9-23-16;/h3-4,9-12H,5-8,13-14H2,1-2H3;1H.
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride?
1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride has a molecular weight of 352.86 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride is sourced from PubChem (CID 163326430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).