4-(4-aminobutan-2-ylsulfanylmethyl)piperidin-4-ol

C10H22N2OS — CID 81041555

IUPAC4-(4-aminobutan-2-ylsulfanylmethyl)piperidin-4-ol
SMILESCC(CCN)SCC1(O)CCNCC1
InChIInChI=1S/C10H22N2OS/c1-9(2-5-11)14-8-10(13)3-6-12-7-4-10/h9,12-13H,2-8,11H2,1H3
InChIKeyLDAREOFAJSXCPK-UHFFFAOYSA-N
MW218.37 g/mol
LogP0.57
Rot. Bonds5

About 4-(4-aminobutan-2-ylsulfanylmethyl)piperidin-4-ol

4-(4-aminobutan-2-ylsulfanylmethyl)piperidin-4-ol (PubChem CID 81041555) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 4-(4-aminobutan-2-ylsulfanylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-aminobutan-2-ylsulfanylmethyl)piperidin-4-ol
PubChem CID81041555
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name4-(4-aminobutan-2-ylsulfanylmethyl)piperidin-4-ol
SMILESCC(CCN)SCC1(O)CCNCC1
InChIInChI=1S/C10H22N2OS/c1-9(2-5-11)14-8-10(13)3-6-12-7-4-10/h9,12-13H,2-8,11H2,1H3
InChIKeyLDAREOFAJSXCPK-UHFFFAOYSA-N
XLogP0.57
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutan-2-ylsulfanylmethyl)piperidin-4-ol?
The IUPAC name of 4-(4-aminobutan-2-ylsulfanylmethyl)piperidin-4-ol (CID 81041555) is 4-(4-aminobutan-2-ylsulfanylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(4-aminobutan-2-ylsulfanylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(4-aminobutan-2-ylsulfanylmethyl)piperidin-4-ol is CC(CCN)SCC1(O)CCNCC1.
What is the InChIKey of 4-(4-aminobutan-2-ylsulfanylmethyl)piperidin-4-ol?
The InChIKey is LDAREOFAJSXCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-9(2-5-11)14-8-10(13)3-6-12-7-4-10/h9,12-13H,2-8,11H2,1H3.
What are the key properties of 4-(4-aminobutan-2-ylsulfanylmethyl)piperidin-4-ol?
4-(4-aminobutan-2-ylsulfanylmethyl)piperidin-4-ol has a molecular weight of 218.37 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutan-2-ylsulfanylmethyl)piperidin-4-ol is sourced from PubChem (CID 81041555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).