1-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol

C16H34N2O — CID 114681903

IUPAC1-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol
SMILESCCCNCC(CC)(CC)CN1CCC(O)C(C)C1
InChIInChI=1S/C16H34N2O/c1-5-9-17-12-16(6-2,7-3)13-18-10-8-15(19)14(4)11-18/h14-15,17,19H,5-13H2,1-4H3
InChIKeyJCHIAIYFRURPRV-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.50
Rot. Bonds8

About 1-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol

1-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol (PubChem CID 114681903) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol
PubChem CID114681903
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol
SMILESCCCNCC(CC)(CC)CN1CCC(O)C(C)C1
InChIInChI=1S/C16H34N2O/c1-5-9-17-12-16(6-2,7-3)13-18-10-8-15(19)14(4)11-18/h14-15,17,19H,5-13H2,1-4H3
InChIKeyJCHIAIYFRURPRV-UHFFFAOYSA-N
XLogP2.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
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-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol (CID 114681903) is 1-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol is CCCNCC(CC)(CC)CN1CCC(O)C(C)C1.
What is the InChIKey of 1-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol?
The InChIKey is JCHIAIYFRURPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-9-17-12-16(6-2,7-3)13-18-10-8-15(19)14(4)11-18/h14-15,17,19H,5-13H2,1-4H3.
What are the key properties of 1-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol?
1-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol has a molecular weight of 270.46 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114681903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).