4-butyl-1,2,5-trimethylpiperidin-4-ol

C12H25NO — CID 603449

IUPAC4-butyl-1,2,5-trimethylpiperidin-4-ol
SMILESCCCCC1(O)CC(C)N(C)CC1C
InChIInChI=1S/C12H25NO/c1-5-6-7-12(14)8-11(3)13(4)9-10(12)2/h10-11,14H,5-9H2,1-4H3
InChIKeyPPZFTLDTFSBLGL-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds3

About 4-butyl-1,2,5-trimethylpiperidin-4-ol

4-butyl-1,2,5-trimethylpiperidin-4-ol (PubChem CID 603449) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-butyl-1,2,5-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-butyl-1,2,5-trimethylpiperidin-4-ol
PubChem CID603449
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-butyl-1,2,5-trimethylpiperidin-4-ol
SMILESCCCCC1(O)CC(C)N(C)CC1C
InChIInChI=1S/C12H25NO/c1-5-6-7-12(14)8-11(3)13(4)9-10(12)2/h10-11,14H,5-9H2,1-4H3
InChIKeyPPZFTLDTFSBLGL-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,2,5-trimethylpiperidin-4-ol?
The IUPAC name of 4-butyl-1,2,5-trimethylpiperidin-4-ol (CID 603449) is 4-butyl-1,2,5-trimethylpiperidin-4-ol.
What is the SMILES notation for 4-butyl-1,2,5-trimethylpiperidin-4-ol?
The canonical SMILES for 4-butyl-1,2,5-trimethylpiperidin-4-ol is CCCCC1(O)CC(C)N(C)CC1C.
What is the InChIKey of 4-butyl-1,2,5-trimethylpiperidin-4-ol?
The InChIKey is PPZFTLDTFSBLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-6-7-12(14)8-11(3)13(4)9-10(12)2/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 4-butyl-1,2,5-trimethylpiperidin-4-ol?
4-butyl-1,2,5-trimethylpiperidin-4-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,2,5-trimethylpiperidin-4-ol is sourced from PubChem (CID 603449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).