(4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol

C22H24FN3O — CID 110170343

IUPAC(4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol
SMILESOC(c1ccc(F)cc1)C1CCN(Cc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C22H24FN3O/c23-20-8-6-18(7-9-20)22(27)19-10-12-25(13-11-19)15-17-14-24-26(16-17)21-4-2-1-3-5-21/h1-9,14,16,19,22,27H,10-13,15H2
InChIKeyGPHZJGNIWCEXKO-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.96
Rot. Bonds5

About (4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol

(4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol (PubChem CID 110170343) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol
PubChem CID110170343
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name(4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol
SMILESOC(c1ccc(F)cc1)C1CCN(Cc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C22H24FN3O/c23-20-8-6-18(7-9-20)22(27)19-10-12-25(13-11-19)15-17-14-24-26(16-17)21-4-2-1-3-5-21/h1-9,14,16,19,22,27H,10-13,15H2
InChIKeyGPHZJGNIWCEXKO-UHFFFAOYSA-N
XLogP3.96
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-(4-fluorophenyl)-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 124621837
N-methyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923189
N-[(1R)-1-[1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 26317828
3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol
CID 111381422
4-benzyl-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine;hydrochloride
CID 110170320
2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648302
3-[(1-phenylpyrazol-4-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927302
(1-phenylpyrazol-4-yl)-piperidin-4-ylmethanol
CID 43328996
2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 119135361
(4-fluorophenyl)-[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methanol
CID 167986384
cyclohexyl-(1-phenylpyrazol-4-yl)methanol
CID 61088953
N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119926338

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol (CID 110170343) is (4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol is OC(c1ccc(F)cc1)C1CCN(Cc2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is GPHZJGNIWCEXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c23-20-8-6-18(7-9-20)22(27)19-10-12-25(13-11-19)15-17-14-24-26(16-17)21-4-2-1-3-5-21/h1-9,14,16,19,22,27H,10-13,15H2.
What are the key properties of (4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol?
(4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 365.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 110170343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).