2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine

C17H23N3O — CID 63897517

IUPAC2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine
SMILESNCC(c1cc2ccccc2o1)N1CCN(C2CC2)CC1
InChIInChI=1S/C17H23N3O/c18-12-15(17-11-13-3-1-2-4-16(13)21-17)20-9-7-19(8-10-20)14-5-6-14/h1-4,11,14-15H,5-10,12,18H2
InChIKeyMCZKJBFNIGPPCV-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.21
Rot. Bonds4

About 2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine

2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine (PubChem CID 63897517) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine
PubChem CID63897517
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine
SMILESNCC(c1cc2ccccc2o1)N1CCN(C2CC2)CC1
InChIInChI=1S/C17H23N3O/c18-12-15(17-11-13-3-1-2-4-16(13)21-17)20-9-7-19(8-10-20)14-5-6-14/h1-4,11,14-15H,5-10,12,18H2
InChIKeyMCZKJBFNIGPPCV-UHFFFAOYSA-N
XLogP2.21
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 63897326
2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine
CID 63897883
2-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66391481
2-(1-benzofuran-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine
CID 63898851
2-(1-benzofuran-2-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
CID 63898076
2-(4-cyclopropylpiperazin-1-yl)-2-(2,6-difluorophenyl)ethanamine
CID 61440571
1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone
CID 61445139
2-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanamine
CID 61441053
3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one
CID 86853717
2-(4-cyclopropylpiperazin-1-yl)-2-(2,3-difluorophenyl)ethanamine
CID 63668083
2-(4-cyclopentylpiperazin-1-yl)-2-(furan-3-yl)ethanamine
CID 55163009
1-[1-[1-(1-benzofuran-2-yl)ethyl]azetidin-3-yl]piperazine
CID 66201644

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine (CID 63897517) is 2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine is NCC(c1cc2ccccc2o1)N1CCN(C2CC2)CC1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine?
The InChIKey is MCZKJBFNIGPPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-12-15(17-11-13-3-1-2-4-16(13)21-17)20-9-7-19(8-10-20)14-5-6-14/h1-4,11,14-15H,5-10,12,18H2.
What are the key properties of 2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine?
2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 63897517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).