N-[1-(5-bromothiophen-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine

C15H25BrN2S — CID 54898068

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCN(CCCNC(C)c2ccc(Br)s2)CC1
InChIInChI=1S/C15H25BrN2S/c1-12-6-10-18(11-7-12)9-3-8-17-13(2)14-4-5-15(16)19-14/h4-5,12-13,17H,3,6-11H2,1-2H3
InChIKeyADOZRIQPHRBRGC-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.28
Rot. Bonds6

About N-[1-(5-bromothiophen-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine

N-[1-(5-bromothiophen-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine (PubChem CID 54898068) has the molecular formula C15H25BrN2S and a molecular weight of 345.35 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
PubChem CID54898068
Molecular FormulaC15H25BrN2S
Molecular Weight345.35 g/mol
Exact Mass344.09
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCN(CCCNC(C)c2ccc(Br)s2)CC1
InChIInChI=1S/C15H25BrN2S/c1-12-6-10-18(11-7-12)9-3-8-17-13(2)14-4-5-15(16)19-14/h4-5,12-13,17H,3,6-11H2,1-2H3
InChIKeyADOZRIQPHRBRGC-UHFFFAOYSA-N
XLogP4.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine
CID 106008220
3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106756979
N-[1-(5-methylfuran-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 43205640
3-(4-methylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 28679951
1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 61240469
N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine
CID 115566766
(2R)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784283
(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784282
N-[1-(5-bromothiophen-2-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 81343374
3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 43193227
3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 28680024
3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 29053338

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine (CID 54898068) is N-[1-(5-bromothiophen-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine is CC1CCN(CCCNC(C)c2ccc(Br)s2)CC1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is ADOZRIQPHRBRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2S/c1-12-6-10-18(11-7-12)9-3-8-17-13(2)14-4-5-15(16)19-14/h4-5,12-13,17H,3,6-11H2,1-2H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
N-[1-(5-bromothiophen-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 345.35 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 54898068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).