4-[4-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]phenyl]piperidin-4-ol

C23H27N3O — CID 56710574

IUPAC4-[4-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]phenyl]piperidin-4-ol
SMILESCc1ccc(-c2ccc(C3(O)CCNCC3)cc2)c(-n2nc(C)cc2C)c1
InChIInChI=1S/C23H27N3O/c1-16-4-9-21(22(14-16)26-18(3)15-17(2)25-26)19-5-7-20(8-6-19)23(27)10-12-24-13-11-23/h4-9,14-15,24,27H,10-13H2,1-3H3
InChIKeyNCBLDEQWZSSGGJ-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.04
Rot. Bonds3

About 4-[4-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]phenyl]piperidin-4-ol

4-[4-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]phenyl]piperidin-4-ol (PubChem CID 56710574) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[4-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[4-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]phenyl]piperidin-4-ol
PubChem CID56710574
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name4-[4-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]phenyl]piperidin-4-ol
SMILESCc1ccc(-c2ccc(C3(O)CCNCC3)cc2)c(-n2nc(C)cc2C)c1
InChIInChI=1S/C23H27N3O/c1-16-4-9-21(22(14-16)26-18(3)15-17(2)25-26)19-5-7-20(8-6-19)23(27)10-12-24-13-11-23/h4-9,14-15,24,27H,10-13H2,1-3H3
InChIKeyNCBLDEQWZSSGGJ-UHFFFAOYSA-N
XLogP4.04
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylphenyl)piperidin-4-ol
CID 23149822
4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperidin-4-ol
CID 68969689
ethane;1-(4-methylphenyl)cyclopropan-1-ol
CID 178045850
3-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]-N-methylpyrazin-2-amine
CID 77079592
4-(3-methoxy-4-phenylphenyl)piperidin-4-ol
CID 139901331
2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxy-1-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]ethanone
CID 46974947
4-(4-phenylphenyl)azepan-4-ol
CID 103982949
4-[4-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]phenyl]piperidin-4-ol
CID 95212647
1-bromo-4-methylbenzene;1-deuterio-4-(4-methylphenyl)piperidin-4-ol;ethane;molecular iodine;triiodide
CID 157495378
1-[4-(4-methylphenyl)piperidin-4-yl]ethanone
CID 82285208
4-methyl-4-[5-(4-methylphenyl)imidazol-1-yl]piperidine
CID 114697612
5-(6-azaspiro[2.5]octan-2-yl)-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 120840795

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]phenyl]piperidin-4-ol?
The IUPAC name of 4-[4-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]phenyl]piperidin-4-ol (CID 56710574) is 4-[4-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]phenyl]piperidin-4-ol.
What is the SMILES notation for 4-[4-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]phenyl]piperidin-4-ol?
The canonical SMILES for 4-[4-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]phenyl]piperidin-4-ol is Cc1ccc(-c2ccc(C3(O)CCNCC3)cc2)c(-n2nc(C)cc2C)c1.
What is the InChIKey of 4-[4-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]phenyl]piperidin-4-ol?
The InChIKey is NCBLDEQWZSSGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-16-4-9-21(22(14-16)26-18(3)15-17(2)25-26)19-5-7-20(8-6-19)23(27)10-12-24-13-11-23/h4-9,14-15,24,27H,10-13H2,1-3H3.
What are the key properties of 4-[4-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]phenyl]piperidin-4-ol?
4-[4-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]phenyl]piperidin-4-ol has a molecular weight of 361.49 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]phenyl]piperidin-4-ol is sourced from PubChem (CID 56710574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).