4-Pyridinemethanol, 3-hydroxy-2-methyl-5-((4-(6-methyl-2-(1-piperidinyl)-4-pyrimidinyl)-1-piperazinyl)methyl)-

C22H32N6O2 — CID 3053195

IUPAC4-(hydroxymethyl)-2-methyl-5-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-3-ol
SMILESCC1=CC(=NC(=N1)N2CCCCC2)N3CCN(CC3)CC4=CN=C(C(=C4CO)O)C
InChIInChI=1S/C22H32N6O2/c1-16-12-20(25-22(24-16)28-6-4-3-5-7-28)27-10-8-26(9-11-27)14-18-13-23-17(2)21(30)19(18)15-29/h12-13,29-30H,3-11,14-15H2,1-2H3
InChIKeyBQXBSBWRGDRWTA-UHFFFAOYSA-N
MW412.50 g/mol
LogP2.30
Rot. Bonds5

About 4-Pyridinemethanol, 3-hydroxy-2-methyl-5-((4-(6-methyl-2-(1-piperidinyl)-4-pyrimidinyl)-1-piperazinyl)methyl)-

4-Pyridinemethanol, 3-hydroxy-2-methyl-5-((4-(6-methyl-2-(1-piperidinyl)-4-pyrimidinyl)-1-piperazinyl)methyl)- (PubChem CID 3053195) has the molecular formula C22H32N6O2 and a molecular weight of 412.50 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-methyl-5-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-3-ol.

Molecular Properties

Compound Name4-Pyridinemethanol, 3-hydroxy-2-methyl-5-((4-(6-methyl-2-(1-piperidinyl)-4-pyrimidinyl)-1-piperazinyl)methyl)-
PubChem CID3053195
Molecular FormulaC22H32N6O2
Molecular Weight412.50 g/mol
Exact Mass412.26
IUPAC Name4-(hydroxymethyl)-2-methyl-5-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-3-ol
SMILESCC1=CC(=NC(=N1)N2CCCCC2)N3CCN(CC3)CC4=CN=C(C(=C4CO)O)C
InChIInChI=1S/C22H32N6O2/c1-16-12-20(25-22(24-16)28-6-4-3-5-7-28)27-10-8-26(9-11-27)14-18-13-23-17(2)21(30)19(18)15-29/h12-13,29-30H,3-11,14-15H2,1-2H3
InChIKeyBQXBSBWRGDRWTA-UHFFFAOYSA-N
XLogP2.30
TPSA88.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity526

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-Pyridinemethanol, 3-hydroxy-2-methyl-5-((4-(6-methyl-2-(1-piperidinyl)-4-pyrimidinyl)-1-piperazinyl)methyl)-?
The IUPAC name of 4-Pyridinemethanol, 3-hydroxy-2-methyl-5-((4-(6-methyl-2-(1-piperidinyl)-4-pyrimidinyl)-1-piperazinyl)methyl)- (CID 3053195) is 4-(hydroxymethyl)-2-methyl-5-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-3-ol.
What is the SMILES notation for 4-Pyridinemethanol, 3-hydroxy-2-methyl-5-((4-(6-methyl-2-(1-piperidinyl)-4-pyrimidinyl)-1-piperazinyl)methyl)-?
The canonical SMILES for 4-Pyridinemethanol, 3-hydroxy-2-methyl-5-((4-(6-methyl-2-(1-piperidinyl)-4-pyrimidinyl)-1-piperazinyl)methyl)- is CC1=CC(=NC(=N1)N2CCCCC2)N3CCN(CC3)CC4=CN=C(C(=C4CO)O)C.
What is the InChIKey of 4-Pyridinemethanol, 3-hydroxy-2-methyl-5-((4-(6-methyl-2-(1-piperidinyl)-4-pyrimidinyl)-1-piperazinyl)methyl)-?
The InChIKey is BQXBSBWRGDRWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-16-12-20(25-22(24-16)28-6-4-3-5-7-28)27-10-8-26(9-11-27)14-18-13-23-17(2)21(30)19(18)15-29/h12-13,29-30H,3-11,14-15H2,1-2H3.
What are the key properties of 4-Pyridinemethanol, 3-hydroxy-2-methyl-5-((4-(6-methyl-2-(1-piperidinyl)-4-pyrimidinyl)-1-piperazinyl)methyl)-?
4-Pyridinemethanol, 3-hydroxy-2-methyl-5-((4-(6-methyl-2-(1-piperidinyl)-4-pyrimidinyl)-1-piperazinyl)methyl)- has a molecular weight of 412.50 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Pyridinemethanol, 3-hydroxy-2-methyl-5-((4-(6-methyl-2-(1-piperidinyl)-4-pyrimidinyl)-1-piperazinyl)methyl)- is sourced from PubChem (CID 3053195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).