2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine

C13H21BrN2S — CID 115210042

IUPAC2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
SMILESCN(CCc1cc(Br)cs1)CC1CCNCC1
InChIInChI=1S/C13H21BrN2S/c1-16(9-11-2-5-15-6-3-11)7-4-13-8-12(14)10-17-13/h8,10-11,15H,2-7,9H2,1H3
InChIKeyFIMLZMUKPKXNPT-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.98
Rot. Bonds5

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

2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 115210042) has the molecular formula C13H21BrN2S and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID115210042
Molecular FormulaC13H21BrN2S
Molecular Weight317.30 g/mol
Exact Mass316.06
IUPAC Name2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
SMILESCN(CCc1cc(Br)cs1)CC1CCNCC1
InChIInChI=1S/C13H21BrN2S/c1-16(9-11-2-5-15-6-3-11)7-4-13-8-12(14)10-17-13/h8,10-11,15H,2-7,9H2,1H3
InChIKeyFIMLZMUKPKXNPT-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol
CID 115239944
4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-one
CID 115240280
2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 115209426
2-(4-bromothiophen-2-yl)-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
CID 115238495
4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine
CID 115209892
N-methyl-N-(piperidin-4-ylmethyl)-2-thiophen-3-ylethanamine
CID 79716858
2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 115210044
N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 63458492
N-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-morpholin-2-ylethanamine
CID 115239287
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119731612
4-[(4-bromothiophen-2-yl)methyl]azepane
CID 83262138
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62210566

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine (CID 115210042) is 2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine is CN(CCc1cc(Br)cs1)CC1CCNCC1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is FIMLZMUKPKXNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2S/c1-16(9-11-2-5-15-6-3-11)7-4-13-8-12(14)10-17-13/h8,10-11,15H,2-7,9H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 317.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 115210042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).