4-[2-(5-piperidin-2-ylimidazol-1-yl)ethyl]phenol

C16H21N3O — CID 114704496

IUPAC4-[2-(5-piperidin-2-ylimidazol-1-yl)ethyl]phenol
SMILESOc1ccc(CCn2cncc2C2CCCCN2)cc1
InChIInChI=1S/C16H21N3O/c20-14-6-4-13(5-7-14)8-10-19-12-17-11-16(19)15-3-1-2-9-18-15/h4-7,11-12,15,18,20H,1-3,8-10H2
InChIKeySFRUQXGVAURQDZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.65
Rot. Bonds4

About 4-[2-(5-piperidin-2-ylimidazol-1-yl)ethyl]phenol

4-[2-(5-piperidin-2-ylimidazol-1-yl)ethyl]phenol (PubChem CID 114704496) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[2-(5-piperidin-2-ylimidazol-1-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(5-piperidin-2-ylimidazol-1-yl)ethyl]phenol
PubChem CID114704496
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[2-(5-piperidin-2-ylimidazol-1-yl)ethyl]phenol
SMILESOc1ccc(CCn2cncc2C2CCCCN2)cc1
InChIInChI=1S/C16H21N3O/c20-14-6-4-13(5-7-14)8-10-19-12-17-11-16(19)15-3-1-2-9-18-15/h4-7,11-12,15,18,20H,1-3,8-10H2
InChIKeySFRUQXGVAURQDZ-UHFFFAOYSA-N
XLogP2.65
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[(2-Amino-1-methylimidazol-4-yl)methyl]phenol
CID 10352841
3-(1H-imidazol-4-yl)phenol
CID 24971332
2-(1H-imidazol-4-yl)phenol
CID 10307884
4-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856590
1-[3-(4-hydroxyphenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 14660412
2-(1H-imidazol-4-yl)-4-methylphenol
CID 58294080
4-[2-(4-Aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol
CID 129137244
4-[2-(3-Aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol
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2-Fluoro-4-(5-imidazol-1-ylmethyl-pyridin-2-yl)-phenol
CID 136008115
4-(1H-Imidazol-4-yl)phenol
CID 12463137

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-piperidin-2-ylimidazol-1-yl)ethyl]phenol?
The IUPAC name of 4-[2-(5-piperidin-2-ylimidazol-1-yl)ethyl]phenol (CID 114704496) is 4-[2-(5-piperidin-2-ylimidazol-1-yl)ethyl]phenol.
What is the SMILES notation for 4-[2-(5-piperidin-2-ylimidazol-1-yl)ethyl]phenol?
The canonical SMILES for 4-[2-(5-piperidin-2-ylimidazol-1-yl)ethyl]phenol is Oc1ccc(CCn2cncc2C2CCCCN2)cc1.
What is the InChIKey of 4-[2-(5-piperidin-2-ylimidazol-1-yl)ethyl]phenol?
The InChIKey is SFRUQXGVAURQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-14-6-4-13(5-7-14)8-10-19-12-17-11-16(19)15-3-1-2-9-18-15/h4-7,11-12,15,18,20H,1-3,8-10H2.
What are the key properties of 4-[2-(5-piperidin-2-ylimidazol-1-yl)ethyl]phenol?
4-[2-(5-piperidin-2-ylimidazol-1-yl)ethyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-piperidin-2-ylimidazol-1-yl)ethyl]phenol is sourced from PubChem (CID 114704496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).