2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine

C16H25N3O — CID 66347219

IUPAC2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(CC2Cc3ccccc3O2)CC1
InChIInChI=1S/C16H25N3O/c1-13(11-17)19-8-6-18(7-9-19)12-15-10-14-4-2-3-5-16(14)20-15/h2-5,13,15H,6-12,17H2,1H3
InChIKeyIBQCUIOWAGTBEV-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.95
Rot. Bonds4

About 2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine

2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine (PubChem CID 66347219) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine
PubChem CID66347219
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(CC2Cc3ccccc3O2)CC1
InChIInChI=1S/C16H25N3O/c1-13(11-17)19-8-6-18(7-9-19)12-15-10-14-4-2-3-5-16(14)20-15/h2-5,13,15H,6-12,17H2,1H3
InChIKeyIBQCUIOWAGTBEV-UHFFFAOYSA-N
XLogP0.95
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 80675136
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,4-diazepane
CID 80667627
1-(2-chloroethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,4-diazepane
CID 66364035
cis-(1R,3S)-3-[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 124769915
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 66363591
N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine
CID 66365727
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one
CID 62233014
(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
CID 104867584
4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
CID 63777403
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 66346636

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine (CID 66347219) is 2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine is CC(CN)N1CCN(CC2Cc3ccccc3O2)CC1.
What is the InChIKey of 2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine?
The InChIKey is IBQCUIOWAGTBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(11-17)19-8-6-18(7-9-19)12-15-10-14-4-2-3-5-16(14)20-15/h2-5,13,15H,6-12,17H2,1H3.
What are the key properties of 2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine?
2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 66347219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).