6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol

C13H27NOS — CID 106590054

IUPAC6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol
SMILESCOCC1CCCN(CCCCCCS)C1
InChIInChI=1S/C13H27NOS/c1-15-12-13-7-6-9-14(11-13)8-4-2-3-5-10-16/h13,16H,2-12H2,1H3
InChIKeySTFWVFFXETWFOA-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.84
Rot. Bonds8

About 6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol

6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol (PubChem CID 106590054) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol.

Molecular Properties

Compound Name6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol
PubChem CID106590054
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol
SMILESCOCC1CCCN(CCCCCCS)C1
InChIInChI=1S/C13H27NOS/c1-15-12-13-7-6-9-14(11-13)8-4-2-3-5-10-16/h13,16H,2-12H2,1H3
InChIKeySTFWVFFXETWFOA-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 106587405
1-(3-bromopropyl)-3-(methoxymethyl)piperidine
CID 106588360
5-[3-(methoxymethyl)piperidin-1-yl]pentan-2-ol
CID 103274720
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
CID 106587473
4-[3-(methoxymethyl)piperidin-1-yl]butanehydrazide
CID 106589698
7-[3-(methoxymethyl)pyrrolidin-1-yl]heptan-1-amine
CID 64599167
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103737990
6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol
CID 103541634
(3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 100627852
N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide
CID 106587066
[1-(4-methoxybutyl)piperidin-3-yl]methanamine
CID 112702061
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol?
The IUPAC name of 6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol (CID 106590054) is 6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol.
What is the SMILES notation for 6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol?
The canonical SMILES for 6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol is COCC1CCCN(CCCCCCS)C1.
What is the InChIKey of 6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol?
The InChIKey is STFWVFFXETWFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-15-12-13-7-6-9-14(11-13)8-4-2-3-5-10-16/h13,16H,2-12H2,1H3.
What are the key properties of 6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol?
6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol has a molecular weight of 245.43 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol is sourced from PubChem (CID 106590054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).