(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone

C19H21FN2O — CID 24724574

IUPAC(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCN1CCN(Cc2ccc(C(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C19H21FN2O/c1-21-10-12-22(13-11-21)14-15-2-4-16(5-3-15)19(23)17-6-8-18(20)9-7-17/h2-9H,10-14H2,1H3
InChIKeyFYFSFVRTFZYAJP-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.80
Rot. Bonds4

About (4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone

(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone (PubChem CID 24724574) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
PubChem CID24724574
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCN1CCN(Cc2ccc(C(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C19H21FN2O/c1-21-10-12-22(13-11-21)14-15-2-4-16(5-3-15)19(23)17-6-8-18(20)9-7-17/h2-9H,10-14H2,1H3
InChIKeyFYFSFVRTFZYAJP-UHFFFAOYSA-N
XLogP2.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243
(2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724584
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55841098
1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine
CID 145147201
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6467730
(2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725046
N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;molecular hydrogen
CID 143541774

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone (CID 24724574) is (4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone is CN1CCN(Cc2ccc(C(=O)c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The InChIKey is FYFSFVRTFZYAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-21-10-12-22(13-11-21)14-15-2-4-16(5-3-15)19(23)17-6-8-18(20)9-7-17/h2-9H,10-14H2,1H3.
What are the key properties of (4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone has a molecular weight of 312.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 24724574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).