2-[[1-(4-fluorophenyl)-4-methylpiperidin-4-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbaldehyde

C19H22FN3O2 — CID 174613510

IUPAC2-[[1-(4-fluorophenyl)-4-methylpiperidin-4-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbaldehyde
SMILESCc1nc(CC2(C)CCN(c3ccc(F)cc3)CC2)nc(C=O)c1O
InChIInChI=1S/C19H22FN3O2/c1-13-18(25)16(12-24)22-17(21-13)11-19(2)7-9-23(10-8-19)15-5-3-14(20)4-6-15/h3-6,12,25H,7-11H2,1-2H3
InChIKeyVMZBUEOTBZVSAO-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.29
Rot. Bonds4

About 2-[[1-(4-fluorophenyl)-4-methylpiperidin-4-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbaldehyde

2-[[1-(4-fluorophenyl)-4-methylpiperidin-4-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbaldehyde (PubChem CID 174613510) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)-4-methylpiperidin-4-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)-4-methylpiperidin-4-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbaldehyde
PubChem CID174613510
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name2-[[1-(4-fluorophenyl)-4-methylpiperidin-4-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbaldehyde
SMILESCc1nc(CC2(C)CCN(c3ccc(F)cc3)CC2)nc(C=O)c1O
InChIInChI=1S/C19H22FN3O2/c1-13-18(25)16(12-24)22-17(21-13)11-19(2)7-9-23(10-8-19)15-5-3-14(20)4-6-15/h3-6,12,25H,7-11H2,1-2H3
InChIKeyVMZBUEOTBZVSAO-UHFFFAOYSA-N
XLogP3.29
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)-4-methylpiperidin-4-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbaldehyde?
The IUPAC name of 2-[[1-(4-fluorophenyl)-4-methylpiperidin-4-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbaldehyde (CID 174613510) is 2-[[1-(4-fluorophenyl)-4-methylpiperidin-4-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)-4-methylpiperidin-4-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbaldehyde?
The canonical SMILES for 2-[[1-(4-fluorophenyl)-4-methylpiperidin-4-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbaldehyde is Cc1nc(CC2(C)CCN(c3ccc(F)cc3)CC2)nc(C=O)c1O.
What is the InChIKey of 2-[[1-(4-fluorophenyl)-4-methylpiperidin-4-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbaldehyde?
The InChIKey is VMZBUEOTBZVSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13-18(25)16(12-24)22-17(21-13)11-19(2)7-9-23(10-8-19)15-5-3-14(20)4-6-15/h3-6,12,25H,7-11H2,1-2H3.
What are the key properties of 2-[[1-(4-fluorophenyl)-4-methylpiperidin-4-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbaldehyde?
2-[[1-(4-fluorophenyl)-4-methylpiperidin-4-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbaldehyde has a molecular weight of 343.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)-4-methylpiperidin-4-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbaldehyde is sourced from PubChem (CID 174613510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).