4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol

C22H30N4O — CID 46954560

IUPAC4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol
SMILESCc1ccccc1C1(O)CCN(Cc2cnc(N3CCCCC3)nc2)CC1
InChIInChI=1S/C22H30N4O/c1-18-7-3-4-8-20(18)22(27)9-13-25(14-10-22)17-19-15-23-21(24-16-19)26-11-5-2-6-12-26/h3-4,7-8,15-16,27H,2,5-6,9-14,17H2,1H3
InChIKeyXLMFUJCTRDUUSM-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.26
Rot. Bonds4

About 4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol

4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol (PubChem CID 46954560) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol
PubChem CID46954560
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol
SMILESCc1ccccc1C1(O)CCN(Cc2cnc(N3CCCCC3)nc2)CC1
InChIInChI=1S/C22H30N4O/c1-18-7-3-4-8-20(18)22(27)9-13-25(14-10-22)17-19-15-23-21(24-16-19)26-11-5-2-6-12-26/h3-4,7-8,15-16,27H,2,5-6,9-14,17H2,1H3
InChIKeyXLMFUJCTRDUUSM-UHFFFAOYSA-N
XLogP3.26
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol (CID 46954560) is 4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol is Cc1ccccc1C1(O)CCN(Cc2cnc(N3CCCCC3)nc2)CC1.
What is the InChIKey of 4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The InChIKey is XLMFUJCTRDUUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-18-7-3-4-8-20(18)22(27)9-13-25(14-10-22)17-19-15-23-21(24-16-19)26-11-5-2-6-12-26/h3-4,7-8,15-16,27H,2,5-6,9-14,17H2,1H3.
What are the key properties of 4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol has a molecular weight of 366.51 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 46954560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).