[2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone

C13H20N2OS — CID 79808516

IUPAC[2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
SMILESCNCC1CCCCN1C(=O)c1cscc1C
InChIInChI=1S/C13H20N2OS/c1-10-8-17-9-12(10)13(16)15-6-4-3-5-11(15)7-14-2/h8-9,11,14H,3-7H2,1-2H3
InChIKeyWPTCRGOHYJBYNZ-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.27
Rot. Bonds3

About [2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone

[2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone (PubChem CID 79808516) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is [2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
PubChem CID79808516
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name[2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
SMILESCNCC1CCCCN1C(=O)c1cscc1C
InChIInChI=1S/C13H20N2OS/c1-10-8-17-9-12(10)13(16)15-6-4-3-5-11(15)7-14-2/h8-9,11,14H,3-7H2,1-2H3
InChIKeyWPTCRGOHYJBYNZ-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 79807562
[2-(2-chloroethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 79808164
2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 79802677
(3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 107098111
(3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 107704932
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 124516853
[2-(methylaminomethyl)piperidin-1-yl]-(2-methyl-5-nitrophenyl)methanone
CID 63249291
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250409
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119649080
(4,5-dibromothiophen-2-yl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 80537519

Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone?
The IUPAC name of [2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone (CID 79808516) is [2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone.
What is the SMILES notation for [2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone?
The canonical SMILES for [2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone is CNCC1CCCCN1C(=O)c1cscc1C.
What is the InChIKey of [2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone?
The InChIKey is WPTCRGOHYJBYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10-8-17-9-12(10)13(16)15-6-4-3-5-11(15)7-14-2/h8-9,11,14H,3-7H2,1-2H3.
What are the key properties of [2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone?
[2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone has a molecular weight of 252.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone is sourced from PubChem (CID 79808516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).