[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone

C19H20FN3O2 — CID 119281929

IUPAC[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
SMILESNCc1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H20FN3O2/c20-17-7-5-16(6-8-17)19(25)23-11-9-22(10-12-23)18(24)15-3-1-14(13-21)2-4-15/h1-8H,9-13,21H2
InChIKeyQIJVWWFIFBMHOM-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.88
Rot. Bonds3

About [4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone

[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone (PubChem CID 119281929) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
PubChem CID119281929
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
SMILESNCc1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H20FN3O2/c20-17-7-5-16(6-8-17)19(25)23-11-9-22(10-12-23)18(24)15-3-1-14(13-21)2-4-15/h1-8H,9-13,21H2
InChIKeyQIJVWWFIFBMHOM-UHFFFAOYSA-N
XLogP1.88
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
[4-(aminomethyl)phenyl]-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119282247
[4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 125154336
[4-(aminomethyl)phenyl]-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119274730
[4-(aminomethyl)phenyl]-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119282079
[4-(aminomethyl)phenyl]-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 119282152
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294484
4-(4-fluorobenzoyl)piperazine-1-sulfonamide
CID 60734135
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36510130
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833975
[4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831579

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone (CID 119281929) is [4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone is NCc1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is QIJVWWFIFBMHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-17-7-5-16(6-8-17)19(25)23-11-9-22(10-12-23)18(24)15-3-1-14(13-21)2-4-15/h1-8H,9-13,21H2.
What are the key properties of [4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone?
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone has a molecular weight of 341.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 119281929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).