methoxy(piperidin-1-yl)methanol

C7H15NO2 — CID 90453688

IUPACmethoxy(piperidin-1-yl)methanol
SMILESCOC(O)N1CCCCC1
InChIInChI=1S/C7H15NO2/c1-10-7(9)8-5-3-2-4-6-8/h7,9H,2-6H2,1H3
InChIKeyPCKPYHVRRQPIHV-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.39
Rot. Bonds2

About methoxy(piperidin-1-yl)methanol

methoxy(piperidin-1-yl)methanol (PubChem CID 90453688) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methoxy(piperidin-1-yl)methanol.

Molecular Properties

Compound Namemethoxy(piperidin-1-yl)methanol
PubChem CID90453688
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethoxy(piperidin-1-yl)methanol
SMILESCOC(O)N1CCCCC1
InChIInChI=1S/C7H15NO2/c1-10-7(9)8-5-3-2-4-6-8/h7,9H,2-6H2,1H3
InChIKeyPCKPYHVRRQPIHV-UHFFFAOYSA-N
XLogP0.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy(piperidin-1-yl)methanol?
The IUPAC name of methoxy(piperidin-1-yl)methanol (CID 90453688) is methoxy(piperidin-1-yl)methanol.
What is the SMILES notation for methoxy(piperidin-1-yl)methanol?
The canonical SMILES for methoxy(piperidin-1-yl)methanol is COC(O)N1CCCCC1.
What is the InChIKey of methoxy(piperidin-1-yl)methanol?
The InChIKey is PCKPYHVRRQPIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-10-7(9)8-5-3-2-4-6-8/h7,9H,2-6H2,1H3.
What are the key properties of methoxy(piperidin-1-yl)methanol?
methoxy(piperidin-1-yl)methanol has a molecular weight of 145.20 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(piperidin-1-yl)methanol is sourced from PubChem (CID 90453688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).