1-phenylspiro[1H-2-benzothiophene-3,4'-piperidine]

C18H19NS — CID 12694098

IUPAC1-phenylspiro[1H-2-benzothiophene-3,4'-piperidine]
SMILESc1ccc(C2SC3(CCNCC3)c3ccccc32)cc1
InChIInChI=1S/C18H19NS/c1-2-6-14(7-3-1)17-15-8-4-5-9-16(15)18(20-17)10-12-19-13-11-18/h1-9,17,19H,10-13H2
InChIKeyRVRFZPWZHBSUEN-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.10
Rot. Bonds1

About 1-phenylspiro[1H-2-benzothiophene-3,4'-piperidine]

1-phenylspiro[1H-2-benzothiophene-3,4'-piperidine] (PubChem CID 12694098) has the molecular formula C18H19NS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-phenylspiro[1H-2-benzothiophene-3,4'-piperidine].

Molecular Properties

Compound Name1-phenylspiro[1H-2-benzothiophene-3,4'-piperidine]
PubChem CID12694098
Molecular FormulaC18H19NS
Molecular Weight281.42 g/mol
Exact Mass281.12
IUPAC Name1-phenylspiro[1H-2-benzothiophene-3,4'-piperidine]
SMILESc1ccc(C2SC3(CCNCC3)c3ccccc32)cc1
InChIInChI=1S/C18H19NS/c1-2-6-14(7-3-1)17-15-8-4-5-9-16(15)18(20-17)10-12-19-13-11-18/h1-9,17,19H,10-13H2
InChIKeyRVRFZPWZHBSUEN-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-phenylspiro[1H-2-benzothiophene-3,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenylspiro[1H-2-benzothiophene-3,4'-piperidine]?
The IUPAC name of 1-phenylspiro[1H-2-benzothiophene-3,4'-piperidine] (CID 12694098) is 1-phenylspiro[1H-2-benzothiophene-3,4'-piperidine].
What is the SMILES notation for 1-phenylspiro[1H-2-benzothiophene-3,4'-piperidine]?
The canonical SMILES for 1-phenylspiro[1H-2-benzothiophene-3,4'-piperidine] is c1ccc(C2SC3(CCNCC3)c3ccccc32)cc1.
What is the InChIKey of 1-phenylspiro[1H-2-benzothiophene-3,4'-piperidine]?
The InChIKey is RVRFZPWZHBSUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS/c1-2-6-14(7-3-1)17-15-8-4-5-9-16(15)18(20-17)10-12-19-13-11-18/h1-9,17,19H,10-13H2.
What are the key properties of 1-phenylspiro[1H-2-benzothiophene-3,4'-piperidine]?
1-phenylspiro[1H-2-benzothiophene-3,4'-piperidine] has a molecular weight of 281.42 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylspiro[1H-2-benzothiophene-3,4'-piperidine] is sourced from PubChem (CID 12694098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).