4-(5-bromothiophen-3-yl)-1-methylpiperidine

C10H14BrNS — CID 82380140

IUPAC4-(5-bromothiophen-3-yl)-1-methylpiperidine
SMILESCN1CCC(c2csc(Br)c2)CC1
InChIInChI=1S/C10H14BrNS/c1-12-4-2-8(3-5-12)9-6-10(11)13-7-9/h6-8H,2-5H2,1H3
InChIKeyHNPFIHWXTSQQHY-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.32
Rot. Bonds1

About 4-(5-bromothiophen-3-yl)-1-methylpiperidine

4-(5-bromothiophen-3-yl)-1-methylpiperidine (PubChem CID 82380140) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 4-(5-bromothiophen-3-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(5-bromothiophen-3-yl)-1-methylpiperidine
PubChem CID82380140
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name4-(5-bromothiophen-3-yl)-1-methylpiperidine
SMILESCN1CCC(c2csc(Br)c2)CC1
InChIInChI=1S/C10H14BrNS/c1-12-4-2-8(3-5-12)9-6-10(11)13-7-9/h6-8H,2-5H2,1H3
InChIKeyHNPFIHWXTSQQHY-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromo-3-methylphenyl)-1-methylpiperidine
CID 142031329
(5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581702
CID 145001791
CID 145001791
1-[4-(1-methylpiperidin-4-yl)phenyl]ethanol
CID 58103926
4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine
CID 116988876
7-bromo-3-(1-methylpiperidin-4-yl)quinoline
CID 169112519
4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 115021188
2,3-dimethyl-5-(1-methylpiperidin-4-yl)pyridine
CID 158714513
3-bromo-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde
CID 82379066
4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride
CID 71319325
2-cyclopropyl-4-(1-methylpiperidin-4-yl)aniline
CID 168888643
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-3-yl)-1-methylpiperidine?
The IUPAC name of 4-(5-bromothiophen-3-yl)-1-methylpiperidine (CID 82380140) is 4-(5-bromothiophen-3-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(5-bromothiophen-3-yl)-1-methylpiperidine?
The canonical SMILES for 4-(5-bromothiophen-3-yl)-1-methylpiperidine is CN1CCC(c2csc(Br)c2)CC1.
What is the InChIKey of 4-(5-bromothiophen-3-yl)-1-methylpiperidine?
The InChIKey is HNPFIHWXTSQQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-12-4-2-8(3-5-12)9-6-10(11)13-7-9/h6-8H,2-5H2,1H3.
What are the key properties of 4-(5-bromothiophen-3-yl)-1-methylpiperidine?
4-(5-bromothiophen-3-yl)-1-methylpiperidine has a molecular weight of 260.20 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-3-yl)-1-methylpiperidine is sourced from PubChem (CID 82380140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).