1-[3-(1-benzofuran-2-yl)propyl]-4-methylpiperazine

C16H22N2O — CID 170864315

IUPAC1-[3-(1-benzofuran-2-yl)propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2cc3ccccc3o2)CC1
InChIInChI=1S/C16H22N2O/c1-17-9-11-18(12-10-17)8-4-6-15-13-14-5-2-3-7-16(14)19-15/h2-3,5,7,13H,4,6,8-12H2,1H3
InChIKeyHMIPCZSIMHJNRD-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.61
Rot. Bonds4

About 1-[3-(1-benzofuran-2-yl)propyl]-4-methylpiperazine

1-[3-(1-benzofuran-2-yl)propyl]-4-methylpiperazine (PubChem CID 170864315) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[3-(1-benzofuran-2-yl)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(1-benzofuran-2-yl)propyl]-4-methylpiperazine
PubChem CID170864315
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-[3-(1-benzofuran-2-yl)propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2cc3ccccc3o2)CC1
InChIInChI=1S/C16H22N2O/c1-17-9-11-18(12-10-17)8-4-6-15-13-14-5-2-3-7-16(14)19-15/h2-3,5,7,13H,4,6,8-12H2,1H3
InChIKeyHMIPCZSIMHJNRD-UHFFFAOYSA-N
XLogP2.61
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine
CID 56678761
3-(4-methylpiperazin-1-yl)propyl 1-benzofuran-2-carboxylate
CID 171343952
1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 71757920
N-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine
CID 28657641
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
3-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]-1,3-benzoxazol-2-one
CID 14751607
7-[3-(4-methylpiperazin-1-yl)propyl]quinoline
CID 170863487
1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine
CID 114733291
1-[3-(3-iodophenyl)propyl]-4-methylpiperazine
CID 170862396
4-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 46914619
(2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol
CID 95309136
N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine
CID 54950067

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzofuran-2-yl)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(1-benzofuran-2-yl)propyl]-4-methylpiperazine (CID 170864315) is 1-[3-(1-benzofuran-2-yl)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(1-benzofuran-2-yl)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(1-benzofuran-2-yl)propyl]-4-methylpiperazine is CN1CCN(CCCc2cc3ccccc3o2)CC1.
What is the InChIKey of 1-[3-(1-benzofuran-2-yl)propyl]-4-methylpiperazine?
The InChIKey is HMIPCZSIMHJNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-17-9-11-18(12-10-17)8-4-6-15-13-14-5-2-3-7-16(14)19-15/h2-3,5,7,13H,4,6,8-12H2,1H3.
What are the key properties of 1-[3-(1-benzofuran-2-yl)propyl]-4-methylpiperazine?
1-[3-(1-benzofuran-2-yl)propyl]-4-methylpiperazine has a molecular weight of 258.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzofuran-2-yl)propyl]-4-methylpiperazine is sourced from PubChem (CID 170864315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).