1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol

C22H26N4O — CID 46967098

IUPAC1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESCc1cc(C)n(-c2cccc(CN3CCC(O)(c4cccnc4)CC3)c2)n1
InChIInChI=1S/C22H26N4O/c1-17-13-18(2)26(24-17)21-7-3-5-19(14-21)16-25-11-8-22(27,9-12-25)20-6-4-10-23-15-20/h3-7,10,13-15,27H,8-9,11-12,16H2,1-2H3
InChIKeyABGUIDXEKMNHTO-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.37
Rot. Bonds4

About 1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol

1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 46967098) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
PubChem CID46967098
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESCc1cc(C)n(-c2cccc(CN3CCC(O)(c4cccnc4)CC3)c2)n1
InChIInChI=1S/C22H26N4O/c1-17-13-18(2)26(24-17)21-7-3-5-19(14-21)16-25-11-8-22(27,9-12-25)20-6-4-10-23-15-20/h3-7,10,13-15,27H,8-9,11-12,16H2,1-2H3
InChIKeyABGUIDXEKMNHTO-UHFFFAOYSA-N
XLogP3.37
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029
1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 77094509
3-[4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 50950605
1-[[4-[(4-methylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 42171977
1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-methylsulfonyl-1,4-diazepane
CID 135094833
[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 26326398
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
[(1S,5S,6R,7R)-3-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
CID 155509197
4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 1446411
1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 46967113
[5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 74241965
1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 77096460

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol?
The IUPAC name of 1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol (CID 46967098) is 1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol is Cc1cc(C)n(-c2cccc(CN3CCC(O)(c4cccnc4)CC3)c2)n1.
What is the InChIKey of 1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol?
The InChIKey is ABGUIDXEKMNHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-17-13-18(2)26(24-17)21-7-3-5-19(14-21)16-25-11-8-22(27,9-12-25)20-6-4-10-23-15-20/h3-7,10,13-15,27H,8-9,11-12,16H2,1-2H3.
What are the key properties of 1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol?
1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 362.48 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 46967098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).