5-cyclopropyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpiperazine

C17H24N2O — CID 64947751

IUPAC5-cyclopropyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpiperazine
SMILESCC1CNC(C2CC2)CN1CC1Cc2ccccc2O1
InChIInChI=1S/C17H24N2O/c1-12-9-18-16(13-6-7-13)11-19(12)10-15-8-14-4-2-3-5-17(14)20-15/h2-5,12-13,15-16,18H,6-11H2,1H3
InChIKeyXEGNWGUZDQMXGL-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.06
Rot. Bonds3

About 5-cyclopropyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpiperazine

5-cyclopropyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpiperazine (PubChem CID 64947751) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpiperazine
PubChem CID64947751
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name5-cyclopropyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpiperazine
SMILESCC1CNC(C2CC2)CN1CC1Cc2ccccc2O1
InChIInChI=1S/C17H24N2O/c1-12-9-18-16(13-6-7-13)11-19(12)10-15-8-14-4-2-3-5-17(14)20-15/h2-5,12-13,15-16,18H,6-11H2,1H3
InChIKeyXEGNWGUZDQMXGL-UHFFFAOYSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylmorpholine
CID 81209600
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-pyrrolidin-2-ylpiperidine
CID 66364587
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine
CID 62234271
5-cyclopropyl-2-methyl-1-(naphthalen-1-ylmethyl)piperazine
CID 64860475
3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 64952160
2-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 66364250
5-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64860286
5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64860473
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338733
5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 64860864
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidin-4-amine
CID 62234085
5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine
CID 80527617

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpiperazine (CID 64947751) is 5-cyclopropyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpiperazine is CC1CNC(C2CC2)CN1CC1Cc2ccccc2O1.
What is the InChIKey of 5-cyclopropyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpiperazine?
The InChIKey is XEGNWGUZDQMXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-9-18-16(13-6-7-13)11-19(12)10-15-8-14-4-2-3-5-17(14)20-15/h2-5,12-13,15-16,18H,6-11H2,1H3.
What are the key properties of 5-cyclopropyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpiperazine?
5-cyclopropyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpiperazine has a molecular weight of 272.39 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpiperazine is sourced from PubChem (CID 64947751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).