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

C15H24ClN5O2 — CID 71763662

IUPAC[1-[4-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(Cl)nc(N3CCC(CO)CC3)n2)CC1
InChIInChI=1S/C15H24ClN5O2/c16-13-17-14(20-5-1-11(9-22)2-6-20)19-15(18-13)21-7-3-12(10-23)4-8-21/h11-12,22-23H,1-10H2
InChIKeyKRWMBEOAWMKJRK-UHFFFAOYSA-N
MW341.84 g/mol
LogP0.94
Rot. Bonds4

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

[1-[4-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (PubChem CID 71763662) has the molecular formula C15H24ClN5O2 and a molecular weight of 341.84 g/mol. Its IUPAC name is [1-[4-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
PubChem CID71763662
Molecular FormulaC15H24ClN5O2
Molecular Weight341.84 g/mol
Exact Mass341.16
IUPAC Name[1-[4-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(Cl)nc(N3CCC(CO)CC3)n2)CC1
InChIInChI=1S/C15H24ClN5O2/c16-13-17-14(20-5-1-11(9-22)2-6-20)19-15(18-13)21-7-3-12(10-23)4-8-21/h11-12,22-23H,1-10H2
InChIKeyKRWMBEOAWMKJRK-UHFFFAOYSA-N
XLogP0.94
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[4-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (CID 71763662) is [1-[4-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2nc(Cl)nc(N3CCC(CO)CC3)n2)CC1.
What is the InChIKey of [1-[4-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is KRWMBEOAWMKJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5O2/c16-13-17-14(20-5-1-11(9-22)2-6-20)19-15(18-13)21-7-3-12(10-23)4-8-21/h11-12,22-23H,1-10H2.
What are the key properties of [1-[4-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
[1-[4-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 341.84 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 71763662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).