2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol

C15H29NO — CID 20501080

IUPAC2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol
SMILESCCC1(C)CC(O)CC(C)(C)N1CC=C(C)C
InChIInChI=1S/C15H29NO/c1-7-15(6)11-13(17)10-14(4,5)16(15)9-8-12(2)3/h8,13,17H,7,9-11H2,1-6H3
InChIKeyCFMSYDCLBLMTPG-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds3

About 2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol

2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol (PubChem CID 20501080) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol.

Molecular Properties

Compound Name2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol
PubChem CID20501080
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol
SMILESCCC1(C)CC(O)CC(C)(C)N1CC=C(C)C
InChIInChI=1S/C15H29NO/c1-7-15(6)11-13(17)10-14(4,5)16(15)9-8-12(2)3/h8,13,17H,7,9-11H2,1-6H3
InChIKeyCFMSYDCLBLMTPG-UHFFFAOYSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol?
The IUPAC name of 2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol (CID 20501080) is 2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol.
What is the SMILES notation for 2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol?
The canonical SMILES for 2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol is CCC1(C)CC(O)CC(C)(C)N1CC=C(C)C.
What is the InChIKey of 2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol?
The InChIKey is CFMSYDCLBLMTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-7-15(6)11-13(17)10-14(4,5)16(15)9-8-12(2)3/h8,13,17H,7,9-11H2,1-6H3.
What are the key properties of 2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol?
2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol has a molecular weight of 239.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol is sourced from PubChem (CID 20501080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).