1-[4-(4-ethylthiophen-2-yl)oxan-4-yl]piperidine

C16H25NOS — CID 10779075

IUPAC1-[4-(4-ethylthiophen-2-yl)oxan-4-yl]piperidine
SMILESCCc1csc(C2(N3CCCCC3)CCOCC2)c1
InChIInChI=1S/C16H25NOS/c1-2-14-12-15(19-13-14)16(6-10-18-11-7-16)17-8-4-3-5-9-17/h12-13H,2-11H2,1H3
InChIKeyDKSWGSFBIMDOCK-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.80
Rot. Bonds3

About 1-[4-(4-ethylthiophen-2-yl)oxan-4-yl]piperidine

1-[4-(4-ethylthiophen-2-yl)oxan-4-yl]piperidine (PubChem CID 10779075) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-[4-(4-ethylthiophen-2-yl)oxan-4-yl]piperidine.

Molecular Properties

Compound Name1-[4-(4-ethylthiophen-2-yl)oxan-4-yl]piperidine
PubChem CID10779075
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name1-[4-(4-ethylthiophen-2-yl)oxan-4-yl]piperidine
SMILESCCc1csc(C2(N3CCCCC3)CCOCC2)c1
InChIInChI=1S/C16H25NOS/c1-2-14-12-15(19-13-14)16(6-10-18-11-7-16)17-8-4-3-5-9-17/h12-13H,2-11H2,1H3
InChIKeyDKSWGSFBIMDOCK-UHFFFAOYSA-N
XLogP3.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylthiophen-2-yl)oxan-4-yl]piperidine?
The IUPAC name of 1-[4-(4-ethylthiophen-2-yl)oxan-4-yl]piperidine (CID 10779075) is 1-[4-(4-ethylthiophen-2-yl)oxan-4-yl]piperidine.
What is the SMILES notation for 1-[4-(4-ethylthiophen-2-yl)oxan-4-yl]piperidine?
The canonical SMILES for 1-[4-(4-ethylthiophen-2-yl)oxan-4-yl]piperidine is CCc1csc(C2(N3CCCCC3)CCOCC2)c1.
What is the InChIKey of 1-[4-(4-ethylthiophen-2-yl)oxan-4-yl]piperidine?
The InChIKey is DKSWGSFBIMDOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-2-14-12-15(19-13-14)16(6-10-18-11-7-16)17-8-4-3-5-9-17/h12-13H,2-11H2,1H3.
What are the key properties of 1-[4-(4-ethylthiophen-2-yl)oxan-4-yl]piperidine?
1-[4-(4-ethylthiophen-2-yl)oxan-4-yl]piperidine has a molecular weight of 279.45 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylthiophen-2-yl)oxan-4-yl]piperidine is sourced from PubChem (CID 10779075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).