4-[4-(aminomethyl)oxan-4-yl]-3,3-dimethylpiperidin-4-ol

C13H26N2O2 — CID 114235679

IUPAC4-[4-(aminomethyl)oxan-4-yl]-3,3-dimethylpiperidin-4-ol
SMILESCC1(C)CNCCC1(O)C1(CN)CCOCC1
InChIInChI=1S/C13H26N2O2/c1-11(2)10-15-6-3-13(11,16)12(9-14)4-7-17-8-5-12/h15-16H,3-10,14H2,1-2H3
InChIKeyXSWWKNVKURRYLO-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.49
Rot. Bonds2

About 4-[4-(aminomethyl)oxan-4-yl]-3,3-dimethylpiperidin-4-ol

4-[4-(aminomethyl)oxan-4-yl]-3,3-dimethylpiperidin-4-ol (PubChem CID 114235679) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-[4-(aminomethyl)oxan-4-yl]-3,3-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[4-(aminomethyl)oxan-4-yl]-3,3-dimethylpiperidin-4-ol
PubChem CID114235679
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-[4-(aminomethyl)oxan-4-yl]-3,3-dimethylpiperidin-4-ol
SMILESCC1(C)CNCCC1(O)C1(CN)CCOCC1
InChIInChI=1S/C13H26N2O2/c1-11(2)10-15-6-3-13(11,16)12(9-14)4-7-17-8-5-12/h15-16H,3-10,14H2,1-2H3
InChIKeyXSWWKNVKURRYLO-UHFFFAOYSA-N
XLogP0.49
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[4-(aminomethyl)oxan-4-yl]-3,3-dimethylpiperidin-4-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 4-[4-(aminomethyl)oxan-4-yl]-3,3-dimethylpiperidin-4-ol?
The IUPAC name of 4-[4-(aminomethyl)oxan-4-yl]-3,3-dimethylpiperidin-4-ol (CID 114235679) is 4-[4-(aminomethyl)oxan-4-yl]-3,3-dimethylpiperidin-4-ol.
What is the SMILES notation for 4-[4-(aminomethyl)oxan-4-yl]-3,3-dimethylpiperidin-4-ol?
The canonical SMILES for 4-[4-(aminomethyl)oxan-4-yl]-3,3-dimethylpiperidin-4-ol is CC1(C)CNCCC1(O)C1(CN)CCOCC1.
What is the InChIKey of 4-[4-(aminomethyl)oxan-4-yl]-3,3-dimethylpiperidin-4-ol?
The InChIKey is XSWWKNVKURRYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)10-15-6-3-13(11,16)12(9-14)4-7-17-8-5-12/h15-16H,3-10,14H2,1-2H3.
What are the key properties of 4-[4-(aminomethyl)oxan-4-yl]-3,3-dimethylpiperidin-4-ol?
4-[4-(aminomethyl)oxan-4-yl]-3,3-dimethylpiperidin-4-ol has a molecular weight of 242.36 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)oxan-4-yl]-3,3-dimethylpiperidin-4-ol is sourced from PubChem (CID 114235679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).