[1-(4,6-dicyclohexyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol

C21H34N4O3 — CID 102133620

IUPAC[1-(4,6-dicyclohexyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(OC3CCCCC3)nc(OC3CCCCC3)n2)CC1
InChIInChI=1S/C21H34N4O3/c26-15-16-11-13-25(14-12-16)19-22-20(27-17-7-3-1-4-8-17)24-21(23-19)28-18-9-5-2-6-10-18/h16-18,26H,1-15H2
InChIKeyFXZMEYGSXHFFFI-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.50
Rot. Bonds6

About [1-(4,6-dicyclohexyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol

[1-(4,6-dicyclohexyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol (PubChem CID 102133620) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is [1-(4,6-dicyclohexyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4,6-dicyclohexyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
PubChem CID102133620
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC Name[1-(4,6-dicyclohexyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(OC3CCCCC3)nc(OC3CCCCC3)n2)CC1
InChIInChI=1S/C21H34N4O3/c26-15-16-11-13-25(14-12-16)19-22-20(27-17-7-3-1-4-8-17)24-21(23-19)28-18-9-5-2-6-10-18/h16-18,26H,1-15H2
InChIKeyFXZMEYGSXHFFFI-UHFFFAOYSA-N
XLogP3.50
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-(4,6-dicyclohexyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol 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 [1-(4,6-dicyclohexyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(4,6-dicyclohexyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol (CID 102133620) is [1-(4,6-dicyclohexyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(4,6-dicyclohexyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(4,6-dicyclohexyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol is OCC1CCN(c2nc(OC3CCCCC3)nc(OC3CCCCC3)n2)CC1.
What is the InChIKey of [1-(4,6-dicyclohexyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
The InChIKey is FXZMEYGSXHFFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c26-15-16-11-13-25(14-12-16)19-22-20(27-17-7-3-1-4-8-17)24-21(23-19)28-18-9-5-2-6-10-18/h16-18,26H,1-15H2.
What are the key properties of [1-(4,6-dicyclohexyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
[1-(4,6-dicyclohexyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol has a molecular weight of 390.53 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,6-dicyclohexyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 102133620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).