4-[4-[2-(1H-imidazol-2-yl)ethyl]piperazin-1-yl]phenol

C15H20N4O — CID 167971614

IUPAC4-[4-[2-(1H-imidazol-2-yl)ethyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(CCc3ncc[nH]3)CC2)cc1
InChIInChI=1S/C15H20N4O/c20-14-3-1-13(2-4-14)19-11-9-18(10-12-19)8-5-15-16-6-7-17-15/h1-4,6-7,20H,5,8-12H2,(H,16,17)
InChIKeyAFXFMJWQOJQVRF-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.48
Rot. Bonds4

About 4-[4-[2-(1H-imidazol-2-yl)ethyl]piperazin-1-yl]phenol

4-[4-[2-(1H-imidazol-2-yl)ethyl]piperazin-1-yl]phenol (PubChem CID 167971614) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[4-[2-(1H-imidazol-2-yl)ethyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[2-(1H-imidazol-2-yl)ethyl]piperazin-1-yl]phenol
PubChem CID167971614
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[4-[2-(1H-imidazol-2-yl)ethyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(CCc3ncc[nH]3)CC2)cc1
InChIInChI=1S/C15H20N4O/c20-14-3-1-13(2-4-14)19-11-9-18(10-12-19)8-5-15-16-6-7-17-15/h1-4,6-7,20H,5,8-12H2,(H,16,17)
InChIKeyAFXFMJWQOJQVRF-UHFFFAOYSA-N
XLogP1.48
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

formic acid;1-[2-(1H-imidazol-2-yl)ethyl]piperidine
CID 157155381
3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid
CID 134069455
4-(4-fluorophenoxy)-1-[2-(1H-imidazol-2-yl)ethyl]piperidine
CID 131950223
4-[4-(6-phenylhexyl)piperazin-1-yl]phenol
CID 69479444
4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol
CID 8691218
4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol
CID 8690234
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 119126175
3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethylsulfonyl]propanamide
CID 9115904
2-(1H-imidazol-2-yl)ethanol
CID 15016080
[4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 72874168
4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]phenol
CID 37046511
4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol
CID 9027611

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(1H-imidazol-2-yl)ethyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[2-(1H-imidazol-2-yl)ethyl]piperazin-1-yl]phenol (CID 167971614) is 4-[4-[2-(1H-imidazol-2-yl)ethyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[2-(1H-imidazol-2-yl)ethyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[2-(1H-imidazol-2-yl)ethyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(CCc3ncc[nH]3)CC2)cc1.
What is the InChIKey of 4-[4-[2-(1H-imidazol-2-yl)ethyl]piperazin-1-yl]phenol?
The InChIKey is AFXFMJWQOJQVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c20-14-3-1-13(2-4-14)19-11-9-18(10-12-19)8-5-15-16-6-7-17-15/h1-4,6-7,20H,5,8-12H2,(H,16,17).
What are the key properties of 4-[4-[2-(1H-imidazol-2-yl)ethyl]piperazin-1-yl]phenol?
4-[4-[2-(1H-imidazol-2-yl)ethyl]piperazin-1-yl]phenol has a molecular weight of 272.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(1H-imidazol-2-yl)ethyl]piperazin-1-yl]phenol is sourced from PubChem (CID 167971614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).