1-[1-(4-bromothiophen-2-yl)ethyl]piperidin-4-amine

C11H17BrN2S — CID 107354980

IUPAC1-[1-(4-bromothiophen-2-yl)ethyl]piperidin-4-amine
SMILESCC(c1cc(Br)cs1)N1CCC(N)CC1
InChIInChI=1S/C11H17BrN2S/c1-8(11-6-9(12)7-15-11)14-4-2-10(13)3-5-14/h6-8,10H,2-5,13H2,1H3
InChIKeyOIDOLEGNKMAZMC-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.99
Rot. Bonds2

About 1-[1-(4-bromothiophen-2-yl)ethyl]piperidin-4-amine

1-[1-(4-bromothiophen-2-yl)ethyl]piperidin-4-amine (PubChem CID 107354980) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 1-[1-(4-bromothiophen-2-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(4-bromothiophen-2-yl)ethyl]piperidin-4-amine
PubChem CID107354980
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name1-[1-(4-bromothiophen-2-yl)ethyl]piperidin-4-amine
SMILESCC(c1cc(Br)cs1)N1CCC(N)CC1
InChIInChI=1S/C11H17BrN2S/c1-8(11-6-9(12)7-15-11)14-4-2-10(13)3-5-14/h6-8,10H,2-5,13H2,1H3
InChIKeyOIDOLEGNKMAZMC-UHFFFAOYSA-N
XLogP2.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromothiophen-2-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[1-(4-bromothiophen-2-yl)ethyl]piperidin-4-amine (CID 107354980) is 1-[1-(4-bromothiophen-2-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(4-bromothiophen-2-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[1-(4-bromothiophen-2-yl)ethyl]piperidin-4-amine is CC(c1cc(Br)cs1)N1CCC(N)CC1.
What is the InChIKey of 1-[1-(4-bromothiophen-2-yl)ethyl]piperidin-4-amine?
The InChIKey is OIDOLEGNKMAZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-8(11-6-9(12)7-15-11)14-4-2-10(13)3-5-14/h6-8,10H,2-5,13H2,1H3.
What are the key properties of 1-[1-(4-bromothiophen-2-yl)ethyl]piperidin-4-amine?
1-[1-(4-bromothiophen-2-yl)ethyl]piperidin-4-amine has a molecular weight of 289.24 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromothiophen-2-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 107354980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).