1-(4-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol

C18H24FN3O — CID 56780676

IUPAC1-(4-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
SMILESCc1cnn(CC2CCN(CC(O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C18H24FN3O/c1-14-10-20-22(11-14)12-15-6-8-21(9-7-15)13-18(23)16-2-4-17(19)5-3-16/h2-5,10-11,15,18,23H,6-9,12-13H2,1H3
InChIKeyHNHTZDDHVFLIDS-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.78
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol

1-(4-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol (PubChem CID 56780676) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
PubChem CID56780676
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name1-(4-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
SMILESCc1cnn(CC2CCN(CC(O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C18H24FN3O/c1-14-10-20-22(11-14)12-15-6-8-21(9-7-15)13-18(23)16-2-4-17(19)5-3-16/h2-5,10-11,15,18,23H,6-9,12-13H2,1H3
InChIKeyHNHTZDDHVFLIDS-UHFFFAOYSA-N
XLogP2.78
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-(1H-pyrazol-1-yl)ethanol
CID 3245641
{3-benzyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16188140
3-(Benzhydryloxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 44529535
3-[Bis(4-fluorophenyl)methoxymethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 44529536
4-(2-Benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 44529538
1-(1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-piperidinyl)-3-phenyl-1-propanol
CID 16190683
2-(3-fluorobenzyl)-4-[(1-methyl-1H-pyrazol-4-yl)methyl]morpholine
CID 45190633
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-3-piperidinol
CID 45196985
1-(2,4-Dimethylphenyl)-2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 46956904
1-(2,5-Dimethylphenyl)-2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 46956907
1-(3,4-Dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 48076344
1-(3-Fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol
CID 51104368

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol (CID 56780676) is 1-(4-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol is Cc1cnn(CC2CCN(CC(O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol?
The InChIKey is HNHTZDDHVFLIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-14-10-20-22(11-14)12-15-6-8-21(9-7-15)13-18(23)16-2-4-17(19)5-3-16/h2-5,10-11,15,18,23H,6-9,12-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol?
1-(4-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol has a molecular weight of 317.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 56780676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).