2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine

C16H22N2O — CID 116926610

IUPAC2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine
SMILESNCCN1CCC(Cc2coc3ccccc23)CC1
InChIInChI=1S/C16H22N2O/c17-7-10-18-8-5-13(6-9-18)11-14-12-19-16-4-2-1-3-15(14)16/h1-4,12-13H,5-11,17H2
InChIKeyCKVODSBCHXUPAE-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.65
Rot. Bonds4

About 2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine

2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine (PubChem CID 116926610) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine
PubChem CID116926610
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine
SMILESNCCN1CCC(Cc2coc3ccccc23)CC1
InChIInChI=1S/C16H22N2O/c17-7-10-18-8-5-13(6-9-18)11-14-12-19-16-4-2-1-3-15(14)16/h1-4,12-13H,5-11,17H2
InChIKeyCKVODSBCHXUPAE-UHFFFAOYSA-N
XLogP2.65
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclobutylmethyl)-1-benzofuran
CID 145054198
1-(4-aminopiperidin-1-yl)-3-(1-benzofuran-3-yl)propan-2-ol
CID 18351380
3-(1-benzofuran-3-ylmethyl)azetidine
CID 80700831
N-(1-benzofuran-3-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 80701048
1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 115307025
1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
[1-(1-benzofuran-3-ylmethyl)-4-methylpiperazin-2-yl]methanamine
CID 80703416
1-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-3-phenylimidazolidin-2-one
CID 22390752
10-(1-benzofuran-3-yl)decan-1-amine
CID 152675893
2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine
CID 116926592
4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
CID 80700876
N-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 22390802

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine (CID 116926610) is 2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine is NCCN1CCC(Cc2coc3ccccc23)CC1.
What is the InChIKey of 2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine?
The InChIKey is CKVODSBCHXUPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-7-10-18-8-5-13(6-9-18)11-14-12-19-16-4-2-1-3-15(14)16/h1-4,12-13H,5-11,17H2.
What are the key properties of 2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine?
2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine has a molecular weight of 258.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 116926610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).