1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride

C18H23ClFN3O — CID 171667355

IUPAC1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
SMILESCCc1ncc(CN2CCC(O)(c3ccc(F)cc3)CC2)cn1.Cl
InChIInChI=1S/C18H22FN3O.ClH/c1-2-17-20-11-14(12-21-17)13-22-9-7-18(23,8-10-22)15-3-5-16(19)6-4-15;/h3-6,11-12,23H,2,7-10,13H2,1H3;1H
InChIKeyAQLVCSDJIYCIQH-UHFFFAOYSA-N
MW351.85 g/mol
LogP3.08
Rot. Bonds4

About 1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride

1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride (PubChem CID 171667355) has the molecular formula C18H23ClFN3O and a molecular weight of 351.85 g/mol. Its IUPAC name is 1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
PubChem CID171667355
Molecular FormulaC18H23ClFN3O
Molecular Weight351.85 g/mol
Exact Mass351.15
IUPAC Name1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
SMILESCCc1ncc(CN2CCC(O)(c3ccc(F)cc3)CC2)cn1.Cl
InChIInChI=1S/C18H22FN3O.ClH/c1-2-17-20-11-14(12-21-17)13-22-9-7-18(23,8-10-22)15-3-5-16(19)6-4-15;/h3-6,11-12,23H,2,7-10,13H2,1H3;1H
InChIKeyAQLVCSDJIYCIQH-UHFFFAOYSA-N
XLogP3.08
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.85
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
4-(4-fluorophenyl)-1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-ol
CID 19863535
1-[(2,3-dimethylimidazol-4-yl)methyl]-4-(4-fluorophenyl)azepan-4-ol
CID 110223517
4-(4-fluorophenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride
CID 171667363
(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
CID 124751059
4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol
CID 16677696
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
CID 139966182
4-(4-fluorophenyl)-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride
CID 171700056
N-[4-(4-fluorophenyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-4-yl]acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171700612
4-(4-fluorophenyl)-2-[(2-propylpyrimidin-5-yl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol
CID 46961104
4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 171667469
1-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)pyrrolidin-3-ol
CID 154754896

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride?
The IUPAC name of 1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride (CID 171667355) is 1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride.
What is the SMILES notation for 1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride?
The canonical SMILES for 1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride is CCc1ncc(CN2CCC(O)(c3ccc(F)cc3)CC2)cn1.Cl.
What is the InChIKey of 1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride?
The InChIKey is AQLVCSDJIYCIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O.ClH/c1-2-17-20-11-14(12-21-17)13-22-9-7-18(23,8-10-22)15-3-5-16(19)6-4-15;/h3-6,11-12,23H,2,7-10,13H2,1H3;1H.
What are the key properties of 1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride?
1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride has a molecular weight of 351.85 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride is sourced from PubChem (CID 171667355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).