1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine

C11H17BrN2S — CID 116936486

IUPAC1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine
SMILESNC(CC1CCNCC1)c1cc(Br)cs1
InChIInChI=1S/C11H17BrN2S/c12-9-6-11(15-7-9)10(13)5-8-1-3-14-4-2-8/h6-8,10,14H,1-5,13H2
InChIKeyMJLZGIGAXBKJDM-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.90
Rot. Bonds3

About 1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine

1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine (PubChem CID 116936486) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine
PubChem CID116936486
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine
SMILESNC(CC1CCNCC1)c1cc(Br)cs1
InChIInChI=1S/C11H17BrN2S/c12-9-6-11(15-7-9)10(13)5-8-1-3-14-4-2-8/h6-8,10,14H,1-5,13H2
InChIKeyMJLZGIGAXBKJDM-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromothiophen-2-yl)-piperidin-4-ylmethanamine
CID 82307070
1-(3-bromophenyl)-2-piperidin-4-ylethanamine
CID 116936511
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 107355045
(1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine
CID 131000476
(S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine
CID 95457413
2-pyrrolidin-3-yl-1-thiophen-2-ylethanamine
CID 116936073
1-(3-methylthiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936534
4-[(4-bromothiophen-2-yl)methyl]azepane
CID 83262138
N-[1-(4-bromothiophen-2-yl)ethyl]-1-cyclopropylbutan-2-amine
CID 107354387
4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine
CID 115209892
1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine
CID 116936470

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine (CID 116936486) is 1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine is NC(CC1CCNCC1)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine?
The InChIKey is MJLZGIGAXBKJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c12-9-6-11(15-7-9)10(13)5-8-1-3-14-4-2-8/h6-8,10,14H,1-5,13H2.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine?
1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine has a molecular weight of 289.24 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine is sourced from PubChem (CID 116936486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).