1-(5-bromothiophen-2-yl)-4-methylpiperidine

C10H14BrNS — CID 130131999

IUPAC1-(5-bromothiophen-2-yl)-4-methylpiperidine
SMILESCC1CCN(c2ccc(Br)s2)CC1
InChIInChI=1S/C10H14BrNS/c1-8-4-6-12(7-5-8)10-3-2-9(11)13-10/h2-3,8H,4-7H2,1H3
InChIKeyAWUBMFYHNHOHBF-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.75
Rot. Bonds1

About 1-(5-bromothiophen-2-yl)-4-methylpiperidine

1-(5-bromothiophen-2-yl)-4-methylpiperidine (PubChem CID 130131999) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-4-methylpiperidine
PubChem CID130131999
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name1-(5-bromothiophen-2-yl)-4-methylpiperidine
SMILESCC1CCN(c2ccc(Br)s2)CC1
InChIInChI=1S/C10H14BrNS/c1-8-4-6-12(7-5-8)10-3-2-9(11)13-10/h2-3,8H,4-7H2,1H3
InChIKeyAWUBMFYHNHOHBF-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-4-methylpiperidine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-4-methylpiperidine (CID 130131999) is 1-(5-bromothiophen-2-yl)-4-methylpiperidine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-4-methylpiperidine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-4-methylpiperidine is CC1CCN(c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-4-methylpiperidine?
The InChIKey is AWUBMFYHNHOHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-8-4-6-12(7-5-8)10-3-2-9(11)13-10/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-4-methylpiperidine?
1-(5-bromothiophen-2-yl)-4-methylpiperidine has a molecular weight of 260.20 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-4-methylpiperidine is sourced from PubChem (CID 130131999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).