3-[[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol

C14H24ClN5O — CID 65108599

IUPAC3-[[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C14H24ClN5O/c1-3-14(21,4-2)10-16-12-17-11(15)18-13(19-12)20-8-6-5-7-9-20/h21H,3-10H2,1-2H3,(H,16,17,18,19)
InChIKeyWJVLZUPVAZYLLV-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.48
Rot. Bonds6

About 3-[[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol

3-[[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol (PubChem CID 65108599) has the molecular formula C14H24ClN5O and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-[[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol
PubChem CID65108599
Molecular FormulaC14H24ClN5O
Molecular Weight313.83 g/mol
Exact Mass313.17
IUPAC Name3-[[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C14H24ClN5O/c1-3-14(21,4-2)10-16-12-17-11(15)18-13(19-12)20-8-6-5-7-9-20/h21H,3-10H2,1-2H3,(H,16,17,18,19)
InChIKeyWJVLZUPVAZYLLV-UHFFFAOYSA-N
XLogP2.48
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-3-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 3-[[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol (CID 65108599) is 3-[[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 3-[[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol?
The InChIKey is WJVLZUPVAZYLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5O/c1-3-14(21,4-2)10-16-12-17-11(15)18-13(19-12)20-8-6-5-7-9-20/h21H,3-10H2,1-2H3,(H,16,17,18,19).
What are the key properties of 3-[[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol?
3-[[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol has a molecular weight of 313.83 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 65108599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).