1-[(4-imidazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol

C20H22N4O — CID 77092443

IUPAC1-[(4-imidazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESOC1(c2cccnc2)CCN(Cc2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C20H22N4O/c25-20(18-2-1-9-21-14-18)7-11-23(12-8-20)15-17-3-5-19(6-4-17)24-13-10-22-16-24/h1-6,9-10,13-14,16,25H,7-8,11-12,15H2
InChIKeyKFRJMGSZQVBBNS-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.75
Rot. Bonds4

About 1-[(4-imidazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol

1-[(4-imidazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 77092443) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[(4-imidazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(4-imidazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol
PubChem CID77092443
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[(4-imidazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESOC1(c2cccnc2)CCN(Cc2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C20H22N4O/c25-20(18-2-1-9-21-14-18)7-11-23(12-8-20)15-17-3-5-19(6-4-17)24-13-10-22-16-24/h1-6,9-10,13-14,16,25H,7-8,11-12,15H2
InChIKeyKFRJMGSZQVBBNS-UHFFFAOYSA-N
XLogP2.75
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-imidazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol?
The IUPAC name of 1-[(4-imidazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol (CID 77092443) is 1-[(4-imidazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-[(4-imidazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-[(4-imidazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol is OC1(c2cccnc2)CCN(Cc2ccc(-n3ccnc3)cc2)CC1.
What is the InChIKey of 1-[(4-imidazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol?
The InChIKey is KFRJMGSZQVBBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(18-2-1-9-21-14-18)7-11-23(12-8-20)15-17-3-5-19(6-4-17)24-13-10-22-16-24/h1-6,9-10,13-14,16,25H,7-8,11-12,15H2.
What are the key properties of 1-[(4-imidazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol?
1-[(4-imidazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 334.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-imidazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 77092443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).