(3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone

C18H17Cl2FN2O — CID 27756291

IUPAC(3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C18H17Cl2FN2O/c19-15-9-14(10-16(20)11-15)18(24)23-7-5-22(6-8-23)12-13-3-1-2-4-17(13)21/h1-4,9-11H,5-8,12H2
InChIKeyZREAHYZFYCQKNM-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.09
Rot. Bonds3

About (3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone

(3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 27756291) has the molecular formula C18H17Cl2FN2O and a molecular weight of 367.25 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID27756291
Molecular FormulaC18H17Cl2FN2O
Molecular Weight367.25 g/mol
Exact Mass366.07
IUPAC Name(3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C18H17Cl2FN2O/c19-15-9-14(10-16(20)11-15)18(24)23-7-5-22(6-8-23)12-13-3-1-2-4-17(13)21/h1-4,9-11H,5-8,12H2
InChIKeyZREAHYZFYCQKNM-UHFFFAOYSA-N
XLogP4.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-nitrophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19327502
2-(4-chlorophenyl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 113074065
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;oxalic acid
CID 126476310
(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294991
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122743
[3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19327369
[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9467029
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone;oxalic acid
CID 146048643
[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19327436
1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 60615923
3-[[4-(3,5-dichlorobenzoyl)piperazin-1-yl]methyl]benzoic acid
CID 122028664
(3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9397599

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 27756291) is (3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of (3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is ZREAHYZFYCQKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O/c19-15-9-14(10-16(20)11-15)18(24)23-7-5-22(6-8-23)12-13-3-1-2-4-17(13)21/h1-4,9-11H,5-8,12H2.
What are the key properties of (3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
(3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 367.25 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 27756291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).