4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol

C22H21Cl2N3O — CID 56693229

IUPAC4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol
SMILESCc1nc(N2CCC(O)(c3ccc(Cl)cc3)CC2)ncc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H21Cl2N3O/c1-15-20(16-2-6-18(23)7-3-16)14-25-21(26-15)27-12-10-22(28,11-13-27)17-4-8-19(24)9-5-17/h2-9,14,28H,10-13H2,1H3
InChIKeyNEYULZVGGNJLPH-UHFFFAOYSA-N
MW414.34 g/mol
LogP5.25
Rot. Bonds3

About 4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol

4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol (PubChem CID 56693229) has the molecular formula C22H21Cl2N3O and a molecular weight of 414.34 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol
PubChem CID56693229
Molecular FormulaC22H21Cl2N3O
Molecular Weight414.34 g/mol
Exact Mass413.11
IUPAC Name4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol
SMILESCc1nc(N2CCC(O)(c3ccc(Cl)cc3)CC2)ncc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H21Cl2N3O/c1-15-20(16-2-6-18(23)7-3-16)14-25-21(26-15)27-12-10-22(28,11-13-27)17-4-8-19(24)9-5-17/h2-9,14,28H,10-13H2,1H3
InChIKeyNEYULZVGGNJLPH-UHFFFAOYSA-N
XLogP5.25
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.34
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol (CID 56693229) is 4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol is Cc1nc(N2CCC(O)(c3ccc(Cl)cc3)CC2)ncc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol?
The InChIKey is NEYULZVGGNJLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O/c1-15-20(16-2-6-18(23)7-3-16)14-25-21(26-15)27-12-10-22(28,11-13-27)17-4-8-19(24)9-5-17/h2-9,14,28H,10-13H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol has a molecular weight of 414.34 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 56693229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).