[1-(2-benzylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol

C23H24ClN3O — CID 133454690

IUPAC[1-(2-benzylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1)C1CCN(c2ccnc(Cc3ccccc3)n2)CC1
InChIInChI=1S/C23H24ClN3O/c24-20-8-6-18(7-9-20)23(28)19-11-14-27(15-12-19)22-10-13-25-21(26-22)16-17-4-2-1-3-5-17/h1-10,13,19,23,28H,11-12,14-16H2
InChIKeyJAHSLTVQOAFTCL-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.67
Rot. Bonds5

About [1-(2-benzylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol

[1-(2-benzylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol (PubChem CID 133454690) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is [1-(2-benzylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol.

Molecular Properties

Compound Name[1-(2-benzylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol
PubChem CID133454690
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name[1-(2-benzylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1)C1CCN(c2ccnc(Cc3ccccc3)n2)CC1
InChIInChI=1S/C23H24ClN3O/c24-20-8-6-18(7-9-20)23(28)19-11-14-27(15-12-19)22-10-13-25-21(26-22)16-17-4-2-1-3-5-17/h1-10,13,19,23,28H,11-12,14-16H2
InChIKeyJAHSLTVQOAFTCL-UHFFFAOYSA-N
XLogP4.67
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-benzylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol?
The IUPAC name of [1-(2-benzylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol (CID 133454690) is [1-(2-benzylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol.
What is the SMILES notation for [1-(2-benzylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol?
The canonical SMILES for [1-(2-benzylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol is OC(c1ccc(Cl)cc1)C1CCN(c2ccnc(Cc3ccccc3)n2)CC1.
What is the InChIKey of [1-(2-benzylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol?
The InChIKey is JAHSLTVQOAFTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c24-20-8-6-18(7-9-20)23(28)19-11-14-27(15-12-19)22-10-13-25-21(26-22)16-17-4-2-1-3-5-17/h1-10,13,19,23,28H,11-12,14-16H2.
What are the key properties of [1-(2-benzylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol?
[1-(2-benzylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol has a molecular weight of 393.92 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-benzylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol is sourced from PubChem (CID 133454690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).