4-(2-propan-2-yl-1-benzothiophen-5-yl)piperidine

C16H21NS — CID 164942311

IUPAC4-(2-propan-2-yl-1-benzothiophen-5-yl)piperidine
SMILESCC(C)c1cc2cc(C3CCNCC3)ccc2s1
InChIInChI=1S/C16H21NS/c1-11(2)16-10-14-9-13(3-4-15(14)18-16)12-5-7-17-8-6-12/h3-4,9-12,17H,5-8H2,1-2H3
InChIKeyDYCXJENMUWRWHR-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.49
Rot. Bonds2

About 4-(2-propan-2-yl-1-benzothiophen-5-yl)piperidine

4-(2-propan-2-yl-1-benzothiophen-5-yl)piperidine (PubChem CID 164942311) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 4-(2-propan-2-yl-1-benzothiophen-5-yl)piperidine.

Molecular Properties

Compound Name4-(2-propan-2-yl-1-benzothiophen-5-yl)piperidine
PubChem CID164942311
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name4-(2-propan-2-yl-1-benzothiophen-5-yl)piperidine
SMILESCC(C)c1cc2cc(C3CCNCC3)ccc2s1
InChIInChI=1S/C16H21NS/c1-11(2)16-10-14-9-13(3-4-15(14)18-16)12-5-7-17-8-6-12/h3-4,9-12,17H,5-8H2,1-2H3
InChIKeyDYCXJENMUWRWHR-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yl-1-benzothiophen-5-yl)piperidine?
The IUPAC name of 4-(2-propan-2-yl-1-benzothiophen-5-yl)piperidine (CID 164942311) is 4-(2-propan-2-yl-1-benzothiophen-5-yl)piperidine.
What is the SMILES notation for 4-(2-propan-2-yl-1-benzothiophen-5-yl)piperidine?
The canonical SMILES for 4-(2-propan-2-yl-1-benzothiophen-5-yl)piperidine is CC(C)c1cc2cc(C3CCNCC3)ccc2s1.
What is the InChIKey of 4-(2-propan-2-yl-1-benzothiophen-5-yl)piperidine?
The InChIKey is DYCXJENMUWRWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-11(2)16-10-14-9-13(3-4-15(14)18-16)12-5-7-17-8-6-12/h3-4,9-12,17H,5-8H2,1-2H3.
What are the key properties of 4-(2-propan-2-yl-1-benzothiophen-5-yl)piperidine?
4-(2-propan-2-yl-1-benzothiophen-5-yl)piperidine has a molecular weight of 259.42 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yl-1-benzothiophen-5-yl)piperidine is sourced from PubChem (CID 164942311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).