4-(pentylsulfanylmethyl)piperidin-4-ol

C11H23NOS — CID 107754691

IUPAC4-(pentylsulfanylmethyl)piperidin-4-ol
SMILESCCCCCSCC1(O)CCNCC1
InChIInChI=1S/C11H23NOS/c1-2-3-4-9-14-10-11(13)5-7-12-8-6-11/h12-13H,2-10H2,1H3
InChIKeyNNTAUCVOJCAFET-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.02
Rot. Bonds6

About 4-(pentylsulfanylmethyl)piperidin-4-ol

4-(pentylsulfanylmethyl)piperidin-4-ol (PubChem CID 107754691) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 4-(pentylsulfanylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(pentylsulfanylmethyl)piperidin-4-ol
PubChem CID107754691
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name4-(pentylsulfanylmethyl)piperidin-4-ol
SMILESCCCCCSCC1(O)CCNCC1
InChIInChI=1S/C11H23NOS/c1-2-3-4-9-14-10-11(13)5-7-12-8-6-11/h12-13H,2-10H2,1H3
InChIKeyNNTAUCVOJCAFET-UHFFFAOYSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(butylsulfanylmethyl)cyclohexan-1-ol
CID 65213802
4-[(pentylamino)methyl]piperidin-4-ol
CID 95438274
1-ethylsulfanyldodecane
CID 534448
1-ethylsulfanyltetradecane
CID 20788610
1-tetracosylsulfanyloctacosane
CID 87077758
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyltetracosane
CID 14647813
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910

Frequently Asked Questions

What is the IUPAC name of 4-(pentylsulfanylmethyl)piperidin-4-ol?
The IUPAC name of 4-(pentylsulfanylmethyl)piperidin-4-ol (CID 107754691) is 4-(pentylsulfanylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(pentylsulfanylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(pentylsulfanylmethyl)piperidin-4-ol is CCCCCSCC1(O)CCNCC1.
What is the InChIKey of 4-(pentylsulfanylmethyl)piperidin-4-ol?
The InChIKey is NNTAUCVOJCAFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-2-3-4-9-14-10-11(13)5-7-12-8-6-11/h12-13H,2-10H2,1H3.
What are the key properties of 4-(pentylsulfanylmethyl)piperidin-4-ol?
4-(pentylsulfanylmethyl)piperidin-4-ol has a molecular weight of 217.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentylsulfanylmethyl)piperidin-4-ol is sourced from PubChem (CID 107754691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).