1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine

C13H22N2S — CID 43308377

IUPAC1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCC(NCc1cccs1)C1CCN(C)CC1
InChIInChI=1S/C13H22N2S/c1-11(12-5-7-15(2)8-6-12)14-10-13-4-3-9-16-13/h3-4,9,11-12,14H,5-8,10H2,1-2H3
InChIKeyWBFVIMWFGKMVLC-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.57
Rot. Bonds4

About 1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine

1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 43308377) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID43308377
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCC(NCc1cccs1)C1CCN(C)CC1
InChIInChI=1S/C13H22N2S/c1-11(12-5-7-15(2)8-6-12)14-10-13-4-3-9-16-13/h3-4,9,11-12,14H,5-8,10H2,1-2H3
InChIKeyWBFVIMWFGKMVLC-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308376
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 69253507
1-cyclobutyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 115706476
(1R)-1-cyclopentyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81395803
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 113262339
2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 103503524
N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 43740525
(1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 93283678
1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393094
N-(1-cyclopentylethyl)-3-thiophen-2-ylpropan-1-amine
CID 115897402
N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16886515

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine (CID 43308377) is 1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine is CC(NCc1cccs1)C1CCN(C)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is WBFVIMWFGKMVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11(12-5-7-15(2)8-6-12)14-10-13-4-3-9-16-13/h3-4,9,11-12,14H,5-8,10H2,1-2H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine?
1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 238.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 43308377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).