N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine

C13H22N2S — CID 61029974

IUPACN-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine
SMILESCN(CCC1CCNCC1)Cc1ccsc1
InChIInChI=1S/C13H22N2S/c1-15(10-13-5-9-16-11-13)8-4-12-2-6-14-7-3-12/h5,9,11-12,14H,2-4,6-8,10H2,1H3
InChIKeyMGFUUYOLMNWVHJ-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.57
Rot. Bonds5

About N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine

N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 61029974) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID61029974
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine
SMILESCN(CCC1CCNCC1)Cc1ccsc1
InChIInChI=1S/C13H22N2S/c1-15(10-13-5-9-16-11-13)8-4-12-2-6-14-7-3-12/h5,9,11-12,14H,2-4,6-8,10H2,1H3
InChIKeyMGFUUYOLMNWVHJ-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

N-[(4-ethylphenyl)methyl]-N-methyl-2-piperidin-4-ylethanamine
CID 115211655
N-methyl-N-(piperidin-4-ylmethyl)-2-thiophen-3-ylethanamine
CID 79716858
N-cyclopropyl-3-piperidin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 62210423
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 60850565
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine
CID 115211660
2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 55025197
1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one
CID 116559976
[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 79527589
N-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 79385237
3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 61286719
3-(thiophen-3-ylmethyl)pyrrolidine
CID 83682618
N-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 99960024

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine (CID 61029974) is N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine is CN(CCC1CCNCC1)Cc1ccsc1.
What is the InChIKey of N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is MGFUUYOLMNWVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-15(10-13-5-9-16-11-13)8-4-12-2-6-14-7-3-12/h5,9,11-12,14H,2-4,6-8,10H2,1H3.
What are the key properties of N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine?
N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 238.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 61029974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).