3-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)piperidine

C17H20BrNS — CID 79433028

IUPAC3-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)piperidine
SMILESCc1cc(C2CCNCC2c2cccc(Br)c2)c(C)s1
InChIInChI=1S/C17H20BrNS/c1-11-8-16(12(2)20-11)15-6-7-19-10-17(15)13-4-3-5-14(18)9-13/h3-5,8-9,15,17,19H,6-7,10H2,1-2H3
InChIKeySBYNQBNAQDHIHY-UHFFFAOYSA-N
MW350.33 g/mol
LogP4.99
Rot. Bonds2

About 3-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)piperidine

3-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)piperidine (PubChem CID 79433028) has the molecular formula C17H20BrNS and a molecular weight of 350.33 g/mol. Its IUPAC name is 3-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)piperidine.

Molecular Properties

Compound Name3-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)piperidine
PubChem CID79433028
Molecular FormulaC17H20BrNS
Molecular Weight350.33 g/mol
Exact Mass349.05
IUPAC Name3-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)piperidine
SMILESCc1cc(C2CCNCC2c2cccc(Br)c2)c(C)s1
InChIInChI=1S/C17H20BrNS/c1-11-8-16(12(2)20-11)15-6-7-19-10-17(15)13-4-3-5-14(18)9-13/h3-5,8-9,15,17,19H,6-7,10H2,1-2H3
InChIKeySBYNQBNAQDHIHY-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)piperidine?
The IUPAC name of 3-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)piperidine (CID 79433028) is 3-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)piperidine.
What is the SMILES notation for 3-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)piperidine?
The canonical SMILES for 3-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)piperidine is Cc1cc(C2CCNCC2c2cccc(Br)c2)c(C)s1.
What is the InChIKey of 3-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)piperidine?
The InChIKey is SBYNQBNAQDHIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNS/c1-11-8-16(12(2)20-11)15-6-7-19-10-17(15)13-4-3-5-14(18)9-13/h3-5,8-9,15,17,19H,6-7,10H2,1-2H3.
What are the key properties of 3-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)piperidine?
3-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)piperidine has a molecular weight of 350.33 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)piperidine is sourced from PubChem (CID 79433028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).