1-[[4-(4-fluorophenyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidin-4-ol

C23H26FN3O — CID 92565801

IUPAC1-[[4-(4-fluorophenyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidin-4-ol
SMILESCc1nccn1CC1(O)CCN(Cc2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C23H26FN3O/c1-18-25-12-15-27(18)17-23(28)10-13-26(14-11-23)16-19-2-4-20(5-3-19)21-6-8-22(24)9-7-21/h2-9,12,15,28H,10-11,13-14,16-17H2,1H3
InChIKeyNZNDGQKROBTHNB-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.02
Rot. Bonds5

About 1-[[4-(4-fluorophenyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidin-4-ol

1-[[4-(4-fluorophenyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidin-4-ol (PubChem CID 92565801) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-[[4-(4-fluorophenyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-(4-fluorophenyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidin-4-ol
PubChem CID92565801
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name1-[[4-(4-fluorophenyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidin-4-ol
SMILESCc1nccn1CC1(O)CCN(Cc2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C23H26FN3O/c1-18-25-12-15-27(18)17-23(28)10-13-26(14-11-23)16-19-2-4-20(5-3-19)21-6-8-22(24)9-7-21/h2-9,12,15,28H,10-11,13-14,16-17H2,1H3
InChIKeyNZNDGQKROBTHNB-UHFFFAOYSA-N
XLogP4.02
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-fluorophenyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-(4-fluorophenyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidin-4-ol (CID 92565801) is 1-[[4-(4-fluorophenyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-(4-fluorophenyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-(4-fluorophenyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidin-4-ol is Cc1nccn1CC1(O)CCN(Cc2ccc(-c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-[[4-(4-fluorophenyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidin-4-ol?
The InChIKey is NZNDGQKROBTHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-18-25-12-15-27(18)17-23(28)10-13-26(14-11-23)16-19-2-4-20(5-3-19)21-6-8-22(24)9-7-21/h2-9,12,15,28H,10-11,13-14,16-17H2,1H3.
What are the key properties of 1-[[4-(4-fluorophenyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidin-4-ol?
1-[[4-(4-fluorophenyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidin-4-ol has a molecular weight of 379.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-fluorophenyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 92565801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).