2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol

C12H26N2O — CID 6486630

IUPAC2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)NC1CC(C)N(C)CC1C
InChIInChI=1S/C12H26N2O/c1-5-11(8-15)13-12-6-10(3)14(4)7-9(12)2/h9-13,15H,5-8H2,1-4H3
InChIKeyDIQREXVGAWIWBR-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds4

About 2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol

2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol (PubChem CID 6486630) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol
PubChem CID6486630
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)NC1CC(C)N(C)CC1C
InChIInChI=1S/C12H26N2O/c1-5-11(8-15)13-12-6-10(3)14(4)7-9(12)2/h9-13,15H,5-8H2,1-4H3
InChIKeyDIQREXVGAWIWBR-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1,2,5-trimethylpiperidin-4-yl)amino]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

Frequently Asked Questions

What is the IUPAC name of 2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol?
The IUPAC name of 2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol (CID 6486630) is 2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol is CCC(CO)NC1CC(C)N(C)CC1C.
What is the InChIKey of 2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol?
The InChIKey is DIQREXVGAWIWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-11(8-15)13-12-6-10(3)14(4)7-9(12)2/h9-13,15H,5-8H2,1-4H3.
What are the key properties of 2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol?
2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 6486630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).