4-(ethylsulfanylmethyl)piperidin-4-ol

C8H17NOS — CID 81043076

IUPAC4-(ethylsulfanylmethyl)piperidin-4-ol
SMILESCCSCC1(O)CCNCC1
InChIInChI=1S/C8H17NOS/c1-2-11-7-8(10)3-5-9-6-4-8/h9-10H,2-7H2,1H3
InChIKeyWMPVUNYEVWYCBE-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.85
Rot. Bonds3

About 4-(ethylsulfanylmethyl)piperidin-4-ol

4-(ethylsulfanylmethyl)piperidin-4-ol (PubChem CID 81043076) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)piperidin-4-ol
PubChem CID81043076
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name4-(ethylsulfanylmethyl)piperidin-4-ol
SMILESCCSCC1(O)CCNCC1
InChIInChI=1S/C8H17NOS/c1-2-11-7-8(10)3-5-9-6-4-8/h9-10H,2-7H2,1H3
InChIKeyWMPVUNYEVWYCBE-UHFFFAOYSA-N
XLogP0.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfanylmethyl)piperidin-4-ol?
The IUPAC name of 4-(ethylsulfanylmethyl)piperidin-4-ol (CID 81043076) is 4-(ethylsulfanylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(ethylsulfanylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(ethylsulfanylmethyl)piperidin-4-ol is CCSCC1(O)CCNCC1.
What is the InChIKey of 4-(ethylsulfanylmethyl)piperidin-4-ol?
The InChIKey is WMPVUNYEVWYCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-2-11-7-8(10)3-5-9-6-4-8/h9-10H,2-7H2,1H3.
What are the key properties of 4-(ethylsulfanylmethyl)piperidin-4-ol?
4-(ethylsulfanylmethyl)piperidin-4-ol has a molecular weight of 175.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfanylmethyl)piperidin-4-ol is sourced from PubChem (CID 81043076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).