4-(4-phenylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol

C21H23N3O — CID 122140252

IUPAC4-(4-phenylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol
SMILESOC1(c2ccc(-c3ccccc3)cc2)CCN(Cc2ccn[nH]2)CC1
InChIInChI=1S/C21H23N3O/c25-21(11-14-24(15-12-21)16-20-10-13-22-23-20)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-10,13,25H,11-12,14-16H2,(H,22,23)
InChIKeyLLAQNDPTBJUNCS-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.56
Rot. Bonds4

About 4-(4-phenylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol

4-(4-phenylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol (PubChem CID 122140252) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-phenylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol
PubChem CID122140252
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name4-(4-phenylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol
SMILESOC1(c2ccc(-c3ccccc3)cc2)CCN(Cc2ccn[nH]2)CC1
InChIInChI=1S/C21H23N3O/c25-21(11-14-24(15-12-21)16-20-10-13-22-23-20)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-10,13,25H,11-12,14-16H2,(H,22,23)
InChIKeyLLAQNDPTBJUNCS-UHFFFAOYSA-N
XLogP3.56
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol?
The IUPAC name of 4-(4-phenylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol (CID 122140252) is 4-(4-phenylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(4-phenylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(4-phenylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol is OC1(c2ccc(-c3ccccc3)cc2)CCN(Cc2ccn[nH]2)CC1.
What is the InChIKey of 4-(4-phenylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol?
The InChIKey is LLAQNDPTBJUNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-21(11-14-24(15-12-21)16-20-10-13-22-23-20)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-10,13,25H,11-12,14-16H2,(H,22,23).
What are the key properties of 4-(4-phenylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol?
4-(4-phenylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol has a molecular weight of 333.44 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 122140252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).