1-methoxy-2,2,6-trimethyl-6-pentylpiperidin-4-ol

C14H29NO2 — CID 119057288

IUPAC1-methoxy-2,2,6-trimethyl-6-pentylpiperidin-4-ol
SMILESCCCCCC1(C)CC(O)CC(C)(C)N1OC
InChIInChI=1S/C14H29NO2/c1-6-7-8-9-14(4)11-12(16)10-13(2,3)15(14)17-5/h12,16H,6-11H2,1-5H3
InChIKeyGRTNOOHWASWMRO-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.12
Rot. Bonds5

About 1-methoxy-2,2,6-trimethyl-6-pentylpiperidin-4-ol

1-methoxy-2,2,6-trimethyl-6-pentylpiperidin-4-ol (PubChem CID 119057288) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-methoxy-2,2,6-trimethyl-6-pentylpiperidin-4-ol.

Molecular Properties

Compound Name1-methoxy-2,2,6-trimethyl-6-pentylpiperidin-4-ol
PubChem CID119057288
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-methoxy-2,2,6-trimethyl-6-pentylpiperidin-4-ol
SMILESCCCCCC1(C)CC(O)CC(C)(C)N1OC
InChIInChI=1S/C14H29NO2/c1-6-7-8-9-14(4)11-12(16)10-13(2,3)15(14)17-5/h12,16H,6-11H2,1-5H3
InChIKeyGRTNOOHWASWMRO-UHFFFAOYSA-N
XLogP3.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,2,6-trimethyl-6-pentylpiperidin-4-ol?
The IUPAC name of 1-methoxy-2,2,6-trimethyl-6-pentylpiperidin-4-ol (CID 119057288) is 1-methoxy-2,2,6-trimethyl-6-pentylpiperidin-4-ol.
What is the SMILES notation for 1-methoxy-2,2,6-trimethyl-6-pentylpiperidin-4-ol?
The canonical SMILES for 1-methoxy-2,2,6-trimethyl-6-pentylpiperidin-4-ol is CCCCCC1(C)CC(O)CC(C)(C)N1OC.
What is the InChIKey of 1-methoxy-2,2,6-trimethyl-6-pentylpiperidin-4-ol?
The InChIKey is GRTNOOHWASWMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-6-7-8-9-14(4)11-12(16)10-13(2,3)15(14)17-5/h12,16H,6-11H2,1-5H3.
What are the key properties of 1-methoxy-2,2,6-trimethyl-6-pentylpiperidin-4-ol?
1-methoxy-2,2,6-trimethyl-6-pentylpiperidin-4-ol has a molecular weight of 243.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,2,6-trimethyl-6-pentylpiperidin-4-ol is sourced from PubChem (CID 119057288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).