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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Related Compounds

1,4-Dimethyldecahydroquinolin-4-ol
CID 4038309
Piperidinol, 1-butyl-4-cyclohexyl-, hydrochloride
CID 115389
4-Piperidinol, 1,4-dibutyl-, hydrochloride
CID 3048622
1-Methyl-4-(2-methylpropyl)piperidin-4-ol
CID 23395567
4-Quinolinol, 4-ethyldecahydro-1,2-dimethyl-, (2alpha,4beta,4aalpha,8abeta)-
CID 140686
4-Cyclohexyl-1-methylpiperid-4-ol
CID 115390
4-Ethynyl-1,2,5-trimethylpiperidin-4-ol
CID 3761845
1,2-Dimethyl-4-butyldecahydro-4-quinolol
CID 602872
1,2,2,4,6,6-Hexamethylpiperidin-4-ol
CID 434568
1,2,4-Trimethylpiperid-4-ol
CID 81611310
1,2,3,4-Tetramethylpiperid-4-ol
CID 129804205
1,4-Diethyl-2-methyldecahydro-4-quinolinol
CID 142277

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).