[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone

C16H22N2OS — CID 103441183

IUPAC[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone
SMILESCC1CCN(C(=O)C2CSc3ccccc32)C(CN)C1
InChIInChI=1S/C16H22N2OS/c1-11-6-7-18(12(8-11)9-17)16(19)14-10-20-15-5-3-2-4-13(14)15/h2-5,11-12,14H,6-10,17H2,1H3
InChIKeyPAOLLRXWRCOGCE-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.46
Rot. Bonds2

About [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone

[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone (PubChem CID 103441183) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone
PubChem CID103441183
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone
SMILESCC1CCN(C(=O)C2CSc3ccccc32)C(CN)C1
InChIInChI=1S/C16H22N2OS/c1-11-6-7-18(12(8-11)9-17)16(19)14-10-20-15-5-3-2-4-13(14)15/h2-5,11-12,14H,6-10,17H2,1H3
InChIKeyPAOLLRXWRCOGCE-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124569833
(3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 79993486
2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
CID 103441332
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 103440850
[3-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 79212624
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
[(3S)-3-aminopiperidin-1-yl]-[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanone
CID 124516146
(3-aminopiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 79213096
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 120815594
1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one
CID 79212249
2,3-dihydro-1-benzothiophen-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79212074
2-[1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-yl]acetic acid
CID 79612715

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone (CID 103441183) is [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone is CC1CCN(C(=O)C2CSc3ccccc32)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone?
The InChIKey is PAOLLRXWRCOGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11-6-7-18(12(8-11)9-17)16(19)14-10-20-15-5-3-2-4-13(14)15/h2-5,11-12,14H,6-10,17H2,1H3.
What are the key properties of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone?
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone has a molecular weight of 290.43 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 103441183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).