[1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine

C14H23BrN2S — CID 103352002

IUPAC[1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(C(C)c2ccc(Br)s2)C(CN)C1
InChIInChI=1S/C14H23BrN2S/c1-3-11-6-7-17(12(8-11)9-16)10(2)13-4-5-14(15)18-13/h4-5,10-12H,3,6-9,16H2,1-2H3
InChIKeyUQPVNTNNIADCEA-UHFFFAOYSA-N
MW331.32 g/mol
LogP4.02
Rot. Bonds4

About [1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine

[1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine (PubChem CID 103352002) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is [1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine
PubChem CID103352002
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC Name[1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(C(C)c2ccc(Br)s2)C(CN)C1
InChIInChI=1S/C14H23BrN2S/c1-3-11-6-7-17(12(8-11)9-16)10(2)13-4-5-14(15)18-13/h4-5,10-12H,3,6-9,16H2,1-2H3
InChIKeyUQPVNTNNIADCEA-UHFFFAOYSA-N
XLogP4.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine (CID 103352002) is [1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine is CCC1CCN(C(C)c2ccc(Br)s2)C(CN)C1.
What is the InChIKey of [1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine?
The InChIKey is UQPVNTNNIADCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-3-11-6-7-17(12(8-11)9-16)10(2)13-4-5-14(15)18-13/h4-5,10-12H,3,6-9,16H2,1-2H3.
What are the key properties of [1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine?
[1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine has a molecular weight of 331.32 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103352002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).