[4-[(3-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methanol

C18H22FN3O2 — CID 56754356

IUPAC[4-[(3-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methanol
SMILESCOc1cc(N2CCC(CO)(Cc3cccc(F)c3)CC2)ncn1
InChIInChI=1S/C18H22FN3O2/c1-24-17-10-16(20-13-21-17)22-7-5-18(12-23,6-8-22)11-14-3-2-4-15(19)9-14/h2-4,9-10,13,23H,5-8,11-12H2,1H3
InChIKeyZZOXOXIFUPOUJV-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.45
Rot. Bonds5

About [4-[(3-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methanol

[4-[(3-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methanol (PubChem CID 56754356) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methanol
PubChem CID56754356
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name[4-[(3-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methanol
SMILESCOc1cc(N2CCC(CO)(Cc3cccc(F)c3)CC2)ncn1
InChIInChI=1S/C18H22FN3O2/c1-24-17-10-16(20-13-21-17)22-7-5-18(12-23,6-8-22)11-14-3-2-4-15(19)9-14/h2-4,9-10,13,23H,5-8,11-12H2,1H3
InChIKeyZZOXOXIFUPOUJV-UHFFFAOYSA-N
XLogP2.45
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine
CID 146074484
[4-[(3-fluorophenyl)methyl]-1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methanol
CID 56751113
6-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 56743972
4-(3-fluorophenoxy)-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 56912254
4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 154575770
[4-[(3-fluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanol
CID 25367608
4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 83284609
N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 165431973
4-(3-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine
CID 91633843
1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol
CID 72934998
2-methoxy-7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonane
CID 97451275
4-methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 146077999

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methanol?
The IUPAC name of [4-[(3-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methanol (CID 56754356) is [4-[(3-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methanol?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methanol is COc1cc(N2CCC(CO)(Cc3cccc(F)c3)CC2)ncn1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methanol?
The InChIKey is ZZOXOXIFUPOUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-24-17-10-16(20-13-21-17)22-7-5-18(12-23,6-8-22)11-14-3-2-4-15(19)9-14/h2-4,9-10,13,23H,5-8,11-12H2,1H3.
What are the key properties of [4-[(3-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methanol?
[4-[(3-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methanol has a molecular weight of 331.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 56754356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).