1-[4-[4-[4-(4-hydroxypiperidin-1-yl)-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]piperidin-4-ol

C22H34N10O2 — CID 58012609

IUPAC1-[4-[4-[4-(4-hydroxypiperidin-1-yl)-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]piperidin-4-ol
SMILESCc1nc(N2CCC(O)CC2)nc(N2CCN(c3nc(C)nc(N4CCC(O)CC4)n3)CC2)n1
InChIInChI=1S/C22H34N10O2/c1-15-23-19(29-7-3-17(33)4-8-29)27-21(25-15)31-11-13-32(14-12-31)22-26-16(2)24-20(28-22)30-9-5-18(34)6-10-30/h17-18,33-34H,3-14H2,1-2H3
InChIKeyVJUGNVPFCYARBG-UHFFFAOYSA-N
MW470.58 g/mol
LogP-0.08
Rot. Bonds4

About 1-[4-[4-[4-(4-hydroxypiperidin-1-yl)-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]piperidin-4-ol

1-[4-[4-[4-(4-hydroxypiperidin-1-yl)-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]piperidin-4-ol (PubChem CID 58012609) has the molecular formula C22H34N10O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 1-[4-[4-[4-(4-hydroxypiperidin-1-yl)-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-[4-[4-(4-hydroxypiperidin-1-yl)-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]piperidin-4-ol
PubChem CID58012609
Molecular FormulaC22H34N10O2
Molecular Weight470.58 g/mol
Exact Mass470.29
IUPAC Name1-[4-[4-[4-(4-hydroxypiperidin-1-yl)-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]piperidin-4-ol
SMILESCc1nc(N2CCC(O)CC2)nc(N2CCN(c3nc(C)nc(N4CCC(O)CC4)n3)CC2)n1
InChIInChI=1S/C22H34N10O2/c1-15-23-19(29-7-3-17(33)4-8-29)27-21(25-15)31-11-13-32(14-12-31)22-26-16(2)24-20(28-22)30-9-5-18(34)6-10-30/h17-18,33-34H,3-14H2,1-2H3
InChIKeyVJUGNVPFCYARBG-UHFFFAOYSA-N
XLogP-0.08
TPSA130.76 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.58
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1-[4-[4-[4-(4-hydroxypiperidin-1-yl)-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]piperidin-4-ol with MolForge

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Related Compounds

1-[4-(4-Hydroxypiperidin-1-yl)-6-methyl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 58012611

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-(4-hydroxypiperidin-1-yl)-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[4-[4-[4-(4-hydroxypiperidin-1-yl)-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]piperidin-4-ol (CID 58012609) is 1-[4-[4-[4-(4-hydroxypiperidin-1-yl)-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[4-[4-[4-(4-hydroxypiperidin-1-yl)-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[4-[4-[4-(4-hydroxypiperidin-1-yl)-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]piperidin-4-ol is Cc1nc(N2CCC(O)CC2)nc(N2CCN(c3nc(C)nc(N4CCC(O)CC4)n3)CC2)n1.
What is the InChIKey of 1-[4-[4-[4-(4-hydroxypiperidin-1-yl)-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]piperidin-4-ol?
The InChIKey is VJUGNVPFCYARBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N10O2/c1-15-23-19(29-7-3-17(33)4-8-29)27-21(25-15)31-11-13-32(14-12-31)22-26-16(2)24-20(28-22)30-9-5-18(34)6-10-30/h17-18,33-34H,3-14H2,1-2H3.
What are the key properties of 1-[4-[4-[4-(4-hydroxypiperidin-1-yl)-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]piperidin-4-ol?
1-[4-[4-[4-(4-hydroxypiperidin-1-yl)-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]piperidin-4-ol has a molecular weight of 470.58 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-(4-hydroxypiperidin-1-yl)-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]piperidin-4-ol is sourced from PubChem (CID 58012609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).