[2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone

C16H20N2O2 — CID 119469689

IUPAC[2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CCCCC2CN)oc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-11-13-7-2-3-8-14(13)20-15(11)16(19)18-9-5-4-6-12(18)10-17/h2-3,7-8,12H,4-6,9-10,17H2,1H3
InChIKeyPJTODRCBCJHHBD-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.69
Rot. Bonds2

About [2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone

[2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 119469689) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
PubChem CID119469689
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CCCCC2CN)oc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-11-13-7-2-3-8-14(13)20-15(11)16(19)18-9-5-4-6-12(18)10-17/h2-3,7-8,12H,4-6,9-10,17H2,1H3
InChIKeyPJTODRCBCJHHBD-UHFFFAOYSA-N
XLogP2.69
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 119487178
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
1,4-diazabicyclo[3.2.2]nonan-4-yl-(3-methyl-1-benzofuran-2-yl)methanone
CID 68596839
[2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 116639926
[2-(aminomethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone;hydrochloride
CID 119468513
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
(3,5-dimethyl-1-benzofuran-2-yl)-[2-(3-hydroxypropyl)piperidin-1-yl]methanone
CID 45221687
[2-(aminomethyl)azepan-1-yl]-(2,3-dimethylphenyl)methanone
CID 116640061
1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride
CID 119469596
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(methylsulfonylmethyl)-1-benzofuran-2-yl]methanone
CID 124690891
[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-bromo-2-methylphenyl)methanone
CID 124513776

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone (CID 119469689) is [2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)N2CCCCC2CN)oc2ccccc12.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is PJTODRCBCJHHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-13-7-2-3-8-14(13)20-15(11)16(19)18-9-5-4-6-12(18)10-17/h2-3,7-8,12H,4-6,9-10,17H2,1H3.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
[2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 119469689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).