2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine

C12H19BrN2S — CID 43123632

IUPAC2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
SMILESCC1CCCN(C(CN)c2cc(Br)cs2)C1
InChIInChI=1S/C12H19BrN2S/c1-9-3-2-4-15(7-9)11(6-14)12-5-10(13)8-16-12/h5,8-9,11H,2-4,6-7,14H2,1H3
InChIKeyKTWLOXCAUKAPMJ-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.24
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine

2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine (PubChem CID 43123632) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
PubChem CID43123632
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
SMILESCC1CCCN(C(CN)c2cc(Br)cs2)C1
InChIInChI=1S/C12H19BrN2S/c1-9-3-2-4-15(7-9)11(6-14)12-5-10(13)8-16-12/h5,8-9,11H,2-4,6-7,14H2,1H3
InChIKeyKTWLOXCAUKAPMJ-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 102838082
2-(4-bromothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79175202
2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 43123628
(2S)-2-(5-bromo-3-pyridinyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
CID 124845265
2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16784586
2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 43123646
(2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552547
2-(4-bromothiophen-2-yl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 114086348
2-(4-chlorothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965116
1-(4-bromothiophen-2-yl)-1-(4-methylazepan-1-yl)butan-2-amine
CID 63624050
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
(2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552545

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine (CID 43123632) is 2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine is CC1CCCN(C(CN)c2cc(Br)cs2)C1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine?
The InChIKey is KTWLOXCAUKAPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-9-3-2-4-15(7-9)11(6-14)12-5-10(13)8-16-12/h5,8-9,11H,2-4,6-7,14H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine?
2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine has a molecular weight of 303.27 g/mol, XLogP of 3.24, 3 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)-2-(3-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 43123632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).