1-benzylspiro[piperidine-4,7'-thieno[2,3-c]pyran]

C18H19NOS — CID 70677089

IUPAC1-benzylspiro[piperidine-4,7'-thieno[2,3-c]pyran]
SMILESC1=Cc2ccsc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C18H19NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)17-16(6-12-20-18)7-13-21-17/h1-7,12-13H,8-11,14H2
InChIKeyNCZBEGDTXJBOJZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.24
Rot. Bonds2

About 1-benzylspiro[piperidine-4,7'-thieno[2,3-c]pyran]

1-benzylspiro[piperidine-4,7'-thieno[2,3-c]pyran] (PubChem CID 70677089) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-benzylspiro[piperidine-4,7'-thieno[2,3-c]pyran].

Molecular Properties

Compound Name1-benzylspiro[piperidine-4,7'-thieno[2,3-c]pyran]
PubChem CID70677089
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name1-benzylspiro[piperidine-4,7'-thieno[2,3-c]pyran]
SMILESC1=Cc2ccsc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C18H19NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)17-16(6-12-20-18)7-13-21-17/h1-7,12-13H,8-11,14H2
InChIKeyNCZBEGDTXJBOJZ-UHFFFAOYSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzylspiro[piperidine-4,7'-thieno[2,3-c]pyran]?
The IUPAC name of 1-benzylspiro[piperidine-4,7'-thieno[2,3-c]pyran] (CID 70677089) is 1-benzylspiro[piperidine-4,7'-thieno[2,3-c]pyran].
What is the SMILES notation for 1-benzylspiro[piperidine-4,7'-thieno[2,3-c]pyran]?
The canonical SMILES for 1-benzylspiro[piperidine-4,7'-thieno[2,3-c]pyran] is C1=Cc2ccsc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 1-benzylspiro[piperidine-4,7'-thieno[2,3-c]pyran]?
The InChIKey is NCZBEGDTXJBOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)17-16(6-12-20-18)7-13-21-17/h1-7,12-13H,8-11,14H2.
What are the key properties of 1-benzylspiro[piperidine-4,7'-thieno[2,3-c]pyran]?
1-benzylspiro[piperidine-4,7'-thieno[2,3-c]pyran] has a molecular weight of 297.42 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylspiro[piperidine-4,7'-thieno[2,3-c]pyran] is sourced from PubChem (CID 70677089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).