[3-[(3-chlorophenyl)methyl]-1-(2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol

C19H24ClN3O — CID 56757666

IUPAC[3-[(3-chlorophenyl)methyl]-1-(2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCc1ncc(C)c(N2CCCC(CO)(Cc3cccc(Cl)c3)C2)n1
InChIInChI=1S/C19H24ClN3O/c1-14-11-21-15(2)22-18(14)23-8-4-7-19(12-23,13-24)10-16-5-3-6-17(20)9-16/h3,5-6,9,11,24H,4,7-8,10,12-13H2,1-2H3
InChIKeyWVCRBFYQVLAFHZ-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.57
Rot. Bonds4

About [3-[(3-chlorophenyl)methyl]-1-(2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol

[3-[(3-chlorophenyl)methyl]-1-(2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol (PubChem CID 56757666) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is [3-[(3-chlorophenyl)methyl]-1-(2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(3-chlorophenyl)methyl]-1-(2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol
PubChem CID56757666
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name[3-[(3-chlorophenyl)methyl]-1-(2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCc1ncc(C)c(N2CCCC(CO)(Cc3cccc(Cl)c3)C2)n1
InChIInChI=1S/C19H24ClN3O/c1-14-11-21-15(2)22-18(14)23-8-4-7-19(12-23,13-24)10-16-5-3-6-17(20)9-16/h3,5-6,9,11,24H,4,7-8,10,12-13H2,1-2H3
InChIKeyWVCRBFYQVLAFHZ-UHFFFAOYSA-N
XLogP3.57
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-chlorophenyl)methyl]-1-(2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [3-[(3-chlorophenyl)methyl]-1-(2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol (CID 56757666) is [3-[(3-chlorophenyl)methyl]-1-(2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(3-chlorophenyl)methyl]-1-(2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [3-[(3-chlorophenyl)methyl]-1-(2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol is Cc1ncc(C)c(N2CCCC(CO)(Cc3cccc(Cl)c3)C2)n1.
What is the InChIKey of [3-[(3-chlorophenyl)methyl]-1-(2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol?
The InChIKey is WVCRBFYQVLAFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-14-11-21-15(2)22-18(14)23-8-4-7-19(12-23,13-24)10-16-5-3-6-17(20)9-16/h3,5-6,9,11,24H,4,7-8,10,12-13H2,1-2H3.
What are the key properties of [3-[(3-chlorophenyl)methyl]-1-(2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol?
[3-[(3-chlorophenyl)methyl]-1-(2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol has a molecular weight of 345.87 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chlorophenyl)methyl]-1-(2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 56757666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).