(4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride

C16H21ClN2O2 — CID 119373219

IUPAC(4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
SMILESCc1cc2cc(C(=O)N3CCC(N)CC3)oc2cc1C.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-10-7-12-9-15(20-14(12)8-11(10)2)16(19)18-5-3-13(17)4-6-18;/h7-9,13H,3-6,17H2,1-2H3;1H
InChIKeyFMZXNZKAOBFBMU-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.03
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride

(4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride (PubChem CID 119373219) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
PubChem CID119373219
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name(4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
SMILESCc1cc2cc(C(=O)N3CCC(N)CC3)oc2cc1C.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-10-7-12-9-15(20-14(12)8-11(10)2)16(19)18-5-3-13(17)4-6-18;/h7-9,13H,3-6,17H2,1-2H3;1H
InChIKeyFMZXNZKAOBFBMU-UHFFFAOYSA-N
XLogP3.03
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(5,6-dimethyl-1-benzofuran-2-yl)methanone
CID 124611196
(4-amino-3,3-dimethylpiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone
CID 120814814
(5,6-dimethyl-1-benzofuran-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612576
(5,6-dimethyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395183
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
[2-(aminomethyl)pyrrolidin-1-yl]-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119631264
[(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride
CID 119410829
(5,6-dimethyl-1-benzofuran-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470319
(4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone
CID 119373769
2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-methylchromen-4-one
CID 138533301
(5,6-dimethyl-1-benzofuran-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 119470320
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride (CID 119373219) is (4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride is Cc1cc2cc(C(=O)N3CCC(N)CC3)oc2cc1C.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride?
The InChIKey is FMZXNZKAOBFBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.ClH/c1-10-7-12-9-15(20-14(12)8-11(10)2)16(19)18-5-3-13(17)4-6-18;/h7-9,13H,3-6,17H2,1-2H3;1H.
What are the key properties of (4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride?
(4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119373219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).