4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol

C12H25NO — CID 114594600

IUPAC4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
SMILESCC1CC(C)C(C)N(CCCCO)C1
InChIInChI=1S/C12H25NO/c1-10-8-11(2)12(3)13(9-10)6-4-5-7-14/h10-12,14H,4-9H2,1-3H3
InChIKeyXSBYABXRAJIYDI-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.13
Rot. Bonds4

About 4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol

4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol (PubChem CID 114594600) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
PubChem CID114594600
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
SMILESCC1CC(C)C(C)N(CCCCO)C1
InChIInChI=1S/C12H25NO/c1-10-8-11(2)12(3)13(9-10)6-4-5-7-14/h10-12,14H,4-9H2,1-3H3
InChIKeyXSBYABXRAJIYDI-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3,5-trimethylpiperidin-1-yl)butanethioamide
CID 114593354
2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597515
2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol
CID 114597780
2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592249
1-amino-2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)pentan-2-ol
CID 114597568
2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597525
2-ethyl-2-(methylamino)-5-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
CID 106806513
2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine
CID 114593870
4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
CID 114597476
1-(4-bromophenyl)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
CID 114594159
2,3,5-trimethyl-1-(3-piperidin-4-yloxypropyl)piperidine
CID 114593846
4-(3-methylazetidin-1-yl)butan-1-ol
CID 106844124

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol?
The IUPAC name of 4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol (CID 114594600) is 4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol.
What is the SMILES notation for 4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol?
The canonical SMILES for 4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol is CC1CC(C)C(C)N(CCCCO)C1.
What is the InChIKey of 4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol?
The InChIKey is XSBYABXRAJIYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10-8-11(2)12(3)13(9-10)6-4-5-7-14/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol?
4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol is sourced from PubChem (CID 114594600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).