1-(1-benzofuran-2-ylmethyl)-4-[(3-propoxyphenyl)methyl]piperazine

C23H28N2O2 — CID 46914775

IUPAC1-(1-benzofuran-2-ylmethyl)-4-[(3-propoxyphenyl)methyl]piperazine
SMILESCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
InChIInChI=1S/C23H28N2O2/c1-2-14-26-21-8-5-6-19(15-21)17-24-10-12-25(13-11-24)18-22-16-20-7-3-4-9-23(20)27-22/h3-9,15-16H,2,10-14,17-18H2,1H3
InChIKeyCZPHWPDUDLEVFW-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.54
Rot. Bonds7

About 1-(1-benzofuran-2-ylmethyl)-4-[(3-propoxyphenyl)methyl]piperazine

1-(1-benzofuran-2-ylmethyl)-4-[(3-propoxyphenyl)methyl]piperazine (PubChem CID 46914775) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-4-[(3-propoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)-4-[(3-propoxyphenyl)methyl]piperazine
PubChem CID46914775
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-(1-benzofuran-2-ylmethyl)-4-[(3-propoxyphenyl)methyl]piperazine
SMILESCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
InChIInChI=1S/C23H28N2O2/c1-2-14-26-21-8-5-6-19(15-21)17-24-10-12-25(13-11-24)18-22-16-20-7-3-4-9-23(20)27-22/h3-9,15-16H,2,10-14,17-18H2,1H3
InChIKeyCZPHWPDUDLEVFW-UHFFFAOYSA-N
XLogP4.54
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(3-propoxyphenyl)methyl]piperazine
CID 70470634
3-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 46914618
1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine
CID 56678761
[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
CID 54794443
4-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 46914619
3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 120781439
3-[4-[(3-pentoxyphenyl)methyl]piperazin-1-yl]propanenitrile
CID 54856254
2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906573
4-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]-N-methoxysulfanylaniline
CID 142814958
2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122043103
1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine
CID 4279742
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-ylmethyl)-4-[(3-propoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-4-[(3-propoxyphenyl)methyl]piperazine (CID 46914775) is 1-(1-benzofuran-2-ylmethyl)-4-[(3-propoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-4-[(3-propoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-4-[(3-propoxyphenyl)methyl]piperazine is CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-4-[(3-propoxyphenyl)methyl]piperazine?
The InChIKey is CZPHWPDUDLEVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-14-26-21-8-5-6-19(15-21)17-24-10-12-25(13-11-24)18-22-16-20-7-3-4-9-23(20)27-22/h3-9,15-16H,2,10-14,17-18H2,1H3.
What are the key properties of 1-(1-benzofuran-2-ylmethyl)-4-[(3-propoxyphenyl)methyl]piperazine?
1-(1-benzofuran-2-ylmethyl)-4-[(3-propoxyphenyl)methyl]piperazine has a molecular weight of 364.49 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-ylmethyl)-4-[(3-propoxyphenyl)methyl]piperazine is sourced from PubChem (CID 46914775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).