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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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).