[4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone

C15H20N2O2 — CID 55218662

IUPAC[4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESNCC1CCN(C(=O)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C15H20N2O2/c16-10-11-3-6-17(7-4-11)15(18)13-1-2-14-12(9-13)5-8-19-14/h1-2,9,11H,3-8,10,16H2
InChIKeyQBZXZQMHZFSYLW-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.43
Rot. Bonds2

About [4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone

[4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone (PubChem CID 55218662) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
PubChem CID55218662
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESNCC1CCN(C(=O)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C15H20N2O2/c16-10-11-3-6-17(7-4-11)15(18)13-1-2-14-12(9-13)5-8-19-14/h1-2,9,11H,3-8,10,16H2
InChIKeyQBZXZQMHZFSYLW-UHFFFAOYSA-N
XLogP1.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid
CID 78979831
2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 86985261
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
CID 110693355
[3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 62069448
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 80504960
[4-(2-chloroethoxy)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 82687767
3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 82485167
4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide
CID 62199773
[4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride
CID 119423730
2,3-dihydro-1-benzofuran-5-yl-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 166618855
2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 86824775

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone (CID 55218662) is [4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone is NCC1CCN(C(=O)c2ccc3c(c2)CCO3)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The InChIKey is QBZXZQMHZFSYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-10-11-3-6-17(7-4-11)15(18)13-1-2-14-12(9-13)5-8-19-14/h1-2,9,11H,3-8,10,16H2.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone?
[4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 55218662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).