1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine

C12H19BrN2S — CID 63594782

IUPAC1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2cc(Br)cs2)CC1
InChIInChI=1S/C12H19BrN2S/c1-9(14)10-2-4-15(5-3-10)7-12-6-11(13)8-16-12/h6,8-10H,2-5,7,14H2,1H3
InChIKeyDXEDQFJXGCVVED-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.07
Rot. Bonds3

About 1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine

1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine (PubChem CID 63594782) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine
PubChem CID63594782
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2cc(Br)cs2)CC1
InChIInChI=1S/C12H19BrN2S/c1-9(14)10-2-4-15(5-3-10)7-12-6-11(13)8-16-12/h6,8-10H,2-5,7,14H2,1H3
InChIKeyDXEDQFJXGCVVED-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine with MolForge

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Related Compounds

1-[(4-bromothiophen-2-yl)methyl]-4-butan-2-ylpiperazine
CID 62772301
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one;hydrochloride
CID 119520974
N-[[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928141
1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917618
1-[(4-bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677218
1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol
CID 114510889
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 103815438
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine
CID 120838226
1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol;oxalic acid
CID 45156056
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 63594677
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120838225
1-[(4-bromothiophen-2-yl)methyl]-4-(4-methylphenyl)piperazine
CID 6456260

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine (CID 63594782) is 1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(Cc2cc(Br)cs2)CC1.
What is the InChIKey of 1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is DXEDQFJXGCVVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-9(14)10-2-4-15(5-3-10)7-12-6-11(13)8-16-12/h6,8-10H,2-5,7,14H2,1H3.
What are the key properties of 1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine?
1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 303.27 g/mol, XLogP of 3.07, 3 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)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 63594782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).