N-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine

C12H19BrN2S — CID 63638010

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine
SMILESCCN(Cc1csc(Br)c1)C1CCCNC1
InChIInChI=1S/C12H19BrN2S/c1-2-15(11-4-3-5-14-7-11)8-10-6-12(13)16-9-10/h6,9,11,14H,2-5,7-8H2,1H3
InChIKeyCUTKUMQIMJXQPJ-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.08
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine

N-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine (PubChem CID 63638010) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine
PubChem CID63638010
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine
SMILESCCN(Cc1csc(Br)c1)C1CCCNC1
InChIInChI=1S/C12H19BrN2S/c1-2-15(11-4-3-5-14-7-11)8-10-6-12(13)16-9-10/h6,9,11,14H,2-5,7-8H2,1H3
InChIKeyCUTKUMQIMJXQPJ-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine
CID 63636373
4-[[ethyl(piperidin-3-yl)amino]methyl]phenol
CID 63643977
N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-sulfonamide
CID 54987021
(3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 81139627
2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63644353
N-[(3-bromo-5-nitrophenyl)methyl]-N-ethylpiperidin-3-amine
CID 103351309
6-[[ethyl(piperidin-3-yl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 63637130
N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine
CID 63637242
N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine
CID 63643457
N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine
CID 66480396
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine (CID 63638010) is N-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine is CCN(Cc1csc(Br)c1)C1CCCNC1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine?
The InChIKey is CUTKUMQIMJXQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-2-15(11-4-3-5-14-7-11)8-10-6-12(13)16-9-10/h6,9,11,14H,2-5,7-8H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine?
N-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine has a molecular weight of 303.27 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine is sourced from PubChem (CID 63638010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).