N-methyl-N-(piperidin-3-ylmethyl)-2-thiophen-3-ylethanamine

C13H22N2S — CID 106636462

IUPACN-methyl-N-(piperidin-3-ylmethyl)-2-thiophen-3-ylethanamine
SMILESCN(CCc1ccsc1)CC1CCCNC1
InChIInChI=1S/C13H22N2S/c1-15(7-4-12-5-8-16-11-12)10-13-3-2-6-14-9-13/h5,8,11,13-14H,2-4,6-7,9-10H2,1H3
InChIKeyJQWYOZUDRPSKFU-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.22
Rot. Bonds5

About N-methyl-N-(piperidin-3-ylmethyl)-2-thiophen-3-ylethanamine

N-methyl-N-(piperidin-3-ylmethyl)-2-thiophen-3-ylethanamine (PubChem CID 106636462) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-methyl-N-(piperidin-3-ylmethyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-(piperidin-3-ylmethyl)-2-thiophen-3-ylethanamine
PubChem CID106636462
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-methyl-N-(piperidin-3-ylmethyl)-2-thiophen-3-ylethanamine
SMILESCN(CCc1ccsc1)CC1CCCNC1
InChIInChI=1S/C13H22N2S/c1-15(7-4-12-5-8-16-11-12)10-13-3-2-6-14-9-13/h5,8,11,13-14H,2-4,6-7,9-10H2,1H3
InChIKeyJQWYOZUDRPSKFU-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(piperidin-4-ylmethyl)-2-thiophen-3-ylethanamine
CID 79716858
N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 115209739
3-(2-thiophen-3-ylethyl)azepane
CID 104680659
1-piperidin-3-yl-N-(2-thiophen-3-ylethyl)methanesulfonamide
CID 54972057
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211456
N-methyl-N-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
CID 56854108
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
N-(2-piperidin-3-ylethyl)-3-thiophen-3-ylpropanamide;hydrochloride
CID 119555094
3-(thiophen-3-ylmethyl)pyrrolidine
CID 83682618
1-piperidin-3-yl-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 55173705
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine
CID 106615069
N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 106623723

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)-2-thiophen-3-ylethanamine (CID 106636462) is N-methyl-N-(piperidin-3-ylmethyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-methyl-N-(piperidin-3-ylmethyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-methyl-N-(piperidin-3-ylmethyl)-2-thiophen-3-ylethanamine is CN(CCc1ccsc1)CC1CCCNC1.
What is the InChIKey of N-methyl-N-(piperidin-3-ylmethyl)-2-thiophen-3-ylethanamine?
The InChIKey is JQWYOZUDRPSKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-15(7-4-12-5-8-16-11-12)10-13-3-2-6-14-9-13/h5,8,11,13-14H,2-4,6-7,9-10H2,1H3.
What are the key properties of N-methyl-N-(piperidin-3-ylmethyl)-2-thiophen-3-ylethanamine?
N-methyl-N-(piperidin-3-ylmethyl)-2-thiophen-3-ylethanamine has a molecular weight of 238.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-3-ylmethyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 106636462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).