1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine

C11H17BrN2S — CID 116936244

IUPAC1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine
SMILESNC(CC1CCCCN1)c1ccc(Br)s1
InChIInChI=1S/C11H17BrN2S/c12-11-5-4-10(15-11)9(13)7-8-3-1-2-6-14-8/h4-5,8-9,14H,1-3,6-7,13H2
InChIKeyCIYOVARIZSRCQB-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.04
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine

1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine (PubChem CID 116936244) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine
PubChem CID116936244
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine
SMILESNC(CC1CCCCN1)c1ccc(Br)s1
InChIInChI=1S/C11H17BrN2S/c12-11-5-4-10(15-11)9(13)7-8-3-1-2-6-14-8/h4-5,8-9,14H,1-3,6-7,13H2
InChIKeyCIYOVARIZSRCQB-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-2-yl-1-thiophen-2-ylethanamine
CID 116935934
2-[(5-bromothiophen-2-yl)methyl]piperidine
CID 63086364
1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 61103011
N-[1-(5-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623215
1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanamine
CID 116935942
1-(4-methylsulfanylphenyl)-2-piperidin-2-ylethanamine
CID 116936276
1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine
CID 116936289
2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine
CID 116840275
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine
CID 116936043
(S)-(5-bromothiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171222527
5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide
CID 106626893
2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine
CID 116877651

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine (CID 116936244) is 1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine is NC(CC1CCCCN1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine?
The InChIKey is CIYOVARIZSRCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c12-11-5-4-10(15-11)9(13)7-8-3-1-2-6-14-8/h4-5,8-9,14H,1-3,6-7,13H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine?
1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine has a molecular weight of 289.24 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine is sourced from PubChem (CID 116936244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).