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

C18H31N5O3 — CID 71763885

IUPAC[1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESCC(C)Oc1nc(N2CCC(CO)CC2)nc(N2CCC(CO)CC2)n1
InChIInChI=1S/C18H31N5O3/c1-13(2)26-18-20-16(22-7-3-14(11-24)4-8-22)19-17(21-18)23-9-5-15(12-25)6-10-23/h13-15,24-25H,3-12H2,1-2H3
InChIKeyJXFHZRXGRPLIHQ-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.08
Rot. Bonds6

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

[1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (PubChem CID 71763885) has the molecular formula C18H31N5O3 and a molecular weight of 365.48 g/mol. Its IUPAC name is [1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
PubChem CID71763885
Molecular FormulaC18H31N5O3
Molecular Weight365.48 g/mol
Exact Mass365.24
IUPAC Name[1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESCC(C)Oc1nc(N2CCC(CO)CC2)nc(N2CCC(CO)CC2)n1
InChIInChI=1S/C18H31N5O3/c1-13(2)26-18-20-16(22-7-3-14(11-24)4-8-22)19-17(21-18)23-9-5-15(12-25)6-10-23/h13-15,24-25H,3-12H2,1-2H3
InChIKeyJXFHZRXGRPLIHQ-UHFFFAOYSA-N
XLogP1.08
TPSA94.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (CID 71763885) is [1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is CC(C)Oc1nc(N2CCC(CO)CC2)nc(N2CCC(CO)CC2)n1.
What is the InChIKey of [1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is JXFHZRXGRPLIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O3/c1-13(2)26-18-20-16(22-7-3-14(11-24)4-8-22)19-17(21-18)23-9-5-15(12-25)6-10-23/h13-15,24-25H,3-12H2,1-2H3.
What are the key properties of [1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
[1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 365.48 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 71763885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).