[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride

C16H20ClFN4O — CID 71779994

IUPAC[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride
SMILESCCn1ccnc1N1CCN(C(=O)c2cccc(F)c2)CC1.Cl
InChIInChI=1S/C16H19FN4O.ClH/c1-2-19-7-6-18-16(19)21-10-8-20(9-11-21)15(22)13-4-3-5-14(17)12-13;/h3-7,12H,2,8-11H2,1H3;1H
InChIKeyBMJHUPAGYDIMNP-UHFFFAOYSA-N
MW338.81 g/mol
LogP2.43
Rot. Bonds3

About [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride

[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride (PubChem CID 71779994) has the molecular formula C16H20ClFN4O and a molecular weight of 338.81 g/mol. Its IUPAC name is [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride
PubChem CID71779994
Molecular FormulaC16H20ClFN4O
Molecular Weight338.81 g/mol
Exact Mass338.13
IUPAC Name[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride
SMILESCCn1ccnc1N1CCN(C(=O)c2cccc(F)c2)CC1.Cl
InChIInChI=1S/C16H19FN4O.ClH/c1-2-19-7-6-18-16(19)21-10-8-20(9-11-21)15(22)13-4-3-5-14(17)12-13;/h3-7,12H,2,8-11H2,1H3;1H
InChIKeyBMJHUPAGYDIMNP-UHFFFAOYSA-N
XLogP2.43
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.81
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 71779993
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 25284874
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 25284890
(3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 71779967
1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 45284243
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride
CID 45284224
N,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 25284951
(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078904
(3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560617
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 752975
ethyl 4-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113079816

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride?
The IUPAC name of [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride (CID 71779994) is [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride.
What is the SMILES notation for [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride?
The canonical SMILES for [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride is CCn1ccnc1N1CCN(C(=O)c2cccc(F)c2)CC1.Cl.
What is the InChIKey of [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride?
The InChIKey is BMJHUPAGYDIMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O.ClH/c1-2-19-7-6-18-16(19)21-10-8-20(9-11-21)15(22)13-4-3-5-14(17)12-13;/h3-7,12H,2,8-11H2,1H3;1H.
What are the key properties of [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride?
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride has a molecular weight of 338.81 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 71779994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).