4,4-dimethoxy-1-methylpiperidin-3-ol

C8H17NO3 — CID 13359910

IUPAC4,4-dimethoxy-1-methylpiperidin-3-ol
SMILESCOC1(OC)CCN(C)CC1O
InChIInChI=1S/C8H17NO3/c1-9-5-4-8(11-2,12-3)7(10)6-9/h7,10H,4-6H2,1-3H3
InChIKeyMBFJHNYFZXUGJV-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.33
Rot. Bonds2

About 4,4-dimethoxy-1-methylpiperidin-3-ol

4,4-dimethoxy-1-methylpiperidin-3-ol (PubChem CID 13359910) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4,4-dimethoxy-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name4,4-dimethoxy-1-methylpiperidin-3-ol
PubChem CID13359910
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name4,4-dimethoxy-1-methylpiperidin-3-ol
SMILESCOC1(OC)CCN(C)CC1O
InChIInChI=1S/C8H17NO3/c1-9-5-4-8(11-2,12-3)7(10)6-9/h7,10H,4-6H2,1-3H3
InChIKeyMBFJHNYFZXUGJV-UHFFFAOYSA-N
XLogP-0.33
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4,4-dimethoxy-1-methylpiperidin-3-ol?
The IUPAC name of 4,4-dimethoxy-1-methylpiperidin-3-ol (CID 13359910) is 4,4-dimethoxy-1-methylpiperidin-3-ol.
What is the SMILES notation for 4,4-dimethoxy-1-methylpiperidin-3-ol?
The canonical SMILES for 4,4-dimethoxy-1-methylpiperidin-3-ol is COC1(OC)CCN(C)CC1O.
What is the InChIKey of 4,4-dimethoxy-1-methylpiperidin-3-ol?
The InChIKey is MBFJHNYFZXUGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-9-5-4-8(11-2,12-3)7(10)6-9/h7,10H,4-6H2,1-3H3.
What are the key properties of 4,4-dimethoxy-1-methylpiperidin-3-ol?
4,4-dimethoxy-1-methylpiperidin-3-ol has a molecular weight of 175.23 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-1-methylpiperidin-3-ol is sourced from PubChem (CID 13359910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).