[1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine

C12H20N2S — CID 62090353

IUPAC[1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine
SMILESCC(c1ccsc1)N1CCC(CN)CC1
InChIInChI=1S/C12H20N2S/c1-10(12-4-7-15-9-12)14-5-2-11(8-13)3-6-14/h4,7,9-11H,2-3,5-6,8,13H2,1H3
InChIKeyQJGFAFSQTGWGLL-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.48
Rot. Bonds3

About [1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine

[1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine (PubChem CID 62090353) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is [1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine
PubChem CID62090353
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name[1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine
SMILESCC(c1ccsc1)N1CCC(CN)CC1
InChIInChI=1S/C12H20N2S/c1-10(12-4-7-15-9-12)14-5-2-11(8-13)3-6-14/h4,7,9-11H,2-3,5-6,8,13H2,1H3
InChIKeyQJGFAFSQTGWGLL-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62089674
N-propyl-1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 55126416
1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride
CID 171280726
1-(1-thiophen-3-ylethyl)-4-(triazol-1-yl)piperidine
CID 121183694
[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
CID 2237132
N,3-dimethyl-1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62842076
1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine
CID 63973621
cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 86793524
(2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one
CID 99625769
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine
CID 63233410
3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine
CID 64954383
1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol
CID 119036046

Frequently Asked Questions

What is the IUPAC name of [1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine (CID 62090353) is [1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine is CC(c1ccsc1)N1CCC(CN)CC1.
What is the InChIKey of [1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine?
The InChIKey is QJGFAFSQTGWGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10(12-4-7-15-9-12)14-5-2-11(8-13)3-6-14/h4,7,9-11H,2-3,5-6,8,13H2,1H3.
What are the key properties of [1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine?
[1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine has a molecular weight of 224.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 62090353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).