(1-methylpiperidin-4-ylidene)methoxymethanol

C8H15NO2 — CID 20756952

IUPAC(1-methylpiperidin-4-ylidene)methoxymethanol
SMILESCN1CCC(=COCO)CC1
InChIInChI=1S/C8H15NO2/c1-9-4-2-8(3-5-9)6-11-7-10/h6,10H,2-5,7H2,1H3
InChIKeyRAOILKZGFABUNO-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.56
Rot. Bonds2

About (1-methylpiperidin-4-ylidene)methoxymethanol

(1-methylpiperidin-4-ylidene)methoxymethanol (PubChem CID 20756952) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (1-methylpiperidin-4-ylidene)methoxymethanol.

Molecular Properties

Compound Name(1-methylpiperidin-4-ylidene)methoxymethanol
PubChem CID20756952
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(1-methylpiperidin-4-ylidene)methoxymethanol
SMILESCN1CCC(=COCO)CC1
InChIInChI=1S/C8H15NO2/c1-9-4-2-8(3-5-9)6-11-7-10/h6,10H,2-5,7H2,1H3
InChIKeyRAOILKZGFABUNO-UHFFFAOYSA-N
XLogP0.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-ylidene)methoxymethanol?
The IUPAC name of (1-methylpiperidin-4-ylidene)methoxymethanol (CID 20756952) is (1-methylpiperidin-4-ylidene)methoxymethanol.
What is the SMILES notation for (1-methylpiperidin-4-ylidene)methoxymethanol?
The canonical SMILES for (1-methylpiperidin-4-ylidene)methoxymethanol is CN1CCC(=COCO)CC1.
What is the InChIKey of (1-methylpiperidin-4-ylidene)methoxymethanol?
The InChIKey is RAOILKZGFABUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9-4-2-8(3-5-9)6-11-7-10/h6,10H,2-5,7H2,1H3.
What are the key properties of (1-methylpiperidin-4-ylidene)methoxymethanol?
(1-methylpiperidin-4-ylidene)methoxymethanol has a molecular weight of 157.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-ylidene)methoxymethanol is sourced from PubChem (CID 20756952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).