[3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride

C18H20ClFN2O2 — CID 119401906

IUPAC[3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccc(COc2cccc(F)c2)c1)N1CCNCC1
InChIInChI=1S/C18H19FN2O2.ClH/c19-16-5-2-6-17(12-16)23-13-14-3-1-4-15(11-14)18(22)21-9-7-20-8-10-21;/h1-6,11-12,20H,7-10,13H2;1H
InChIKeyCLVDWWWGKODZKW-UHFFFAOYSA-N
MW350.82 g/mol
LogP2.87
Rot. Bonds4

About [3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride

[3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119401906) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is [3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride
PubChem CID119401906
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC Name[3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccc(COc2cccc(F)c2)c1)N1CCNCC1
InChIInChI=1S/C18H19FN2O2.ClH/c19-16-5-2-6-17(12-16)23-13-14-3-1-4-15(11-14)18(22)21-9-7-20-8-10-21;/h1-6,11-12,20H,7-10,13H2;1H
InChIKeyCLVDWWWGKODZKW-UHFFFAOYSA-N
XLogP2.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-aminopropoxy)piperidin-1-yl]-[3-[(3-fluorophenoxy)methyl]phenyl]methanone;hydrochloride
CID 119663088
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[(3-fluorophenoxy)methyl]phenyl]methanone
CID 124611616
[(3R)-3-aminopiperidin-1-yl]-[3-[(3-fluorophenoxy)methyl]phenyl]methanone
CID 124593731
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
ethane;3-fluoro-2-[[3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide
CID 143250222
(2S)-1-[3-[(3-fluorophenoxy)methyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 119365906
[3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401618
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 17449026
[3-[(3-fluorophenoxy)methyl]phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650326
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
[3-[2-(3-chlorophenyl)ethoxy]phenyl]-piperazin-1-ylmethanone
CID 58347598

Frequently Asked Questions

What is the IUPAC name of [3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of [3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride (CID 119401906) is [3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for [3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride is Cl.O=C(c1cccc(COc2cccc(F)c2)c1)N1CCNCC1.
What is the InChIKey of [3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is CLVDWWWGKODZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2.ClH/c19-16-5-2-6-17(12-16)23-13-14-3-1-4-15(11-14)18(22)21-9-7-20-8-10-21;/h1-6,11-12,20H,7-10,13H2;1H.
What are the key properties of [3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride?
[3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 350.82 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119401906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).