1-[(3-bromothiophen-2-yl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methoxy]piperidine

C15H20BrN3OS — CID 11428655

IUPAC1-[(3-bromothiophen-2-yl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methoxy]piperidine
SMILESCc1[nH]cnc1COC1CCN(Cc2sccc2Br)CC1
InChIInChI=1S/C15H20BrN3OS/c1-11-14(18-10-17-11)9-20-12-2-5-19(6-3-12)8-15-13(16)4-7-21-15/h4,7,10,12H,2-3,5-6,8-9H2,1H3,(H,17,18)
InChIKeyBTSPKQBFRBLFNG-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.72
Rot. Bonds5

About 1-[(3-bromothiophen-2-yl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methoxy]piperidine

1-[(3-bromothiophen-2-yl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methoxy]piperidine (PubChem CID 11428655) has the molecular formula C15H20BrN3OS and a molecular weight of 370.32 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methoxy]piperidine.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methoxy]piperidine
PubChem CID11428655
Molecular FormulaC15H20BrN3OS
Molecular Weight370.32 g/mol
Exact Mass369.05
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methoxy]piperidine
SMILESCc1[nH]cnc1COC1CCN(Cc2sccc2Br)CC1
InChIInChI=1S/C15H20BrN3OS/c1-11-14(18-10-17-11)9-20-12-2-5-19(6-3-12)8-15-13(16)4-7-21-15/h4,7,10,12H,2-3,5-6,8-9H2,1H3,(H,17,18)
InChIKeyBTSPKQBFRBLFNG-UHFFFAOYSA-N
XLogP3.72
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methoxy]piperidine?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methoxy]piperidine (CID 11428655) is 1-[(3-bromothiophen-2-yl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methoxy]piperidine.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methoxy]piperidine?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methoxy]piperidine is Cc1[nH]cnc1COC1CCN(Cc2sccc2Br)CC1.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methoxy]piperidine?
The InChIKey is BTSPKQBFRBLFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3OS/c1-11-14(18-10-17-11)9-20-12-2-5-19(6-3-12)8-15-13(16)4-7-21-15/h4,7,10,12H,2-3,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methoxy]piperidine?
1-[(3-bromothiophen-2-yl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methoxy]piperidine has a molecular weight of 370.32 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methoxy]piperidine is sourced from PubChem (CID 11428655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).