4-[2-[(tert-butylamino)methyl]-4-fluorophenyl]piperazin-2-one

C15H22FN3O — CID 63059984

IUPAC4-[2-[(tert-butylamino)methyl]-4-fluorophenyl]piperazin-2-one
SMILESCC(C)(C)NCc1cc(F)ccc1N1CCNC(=O)C1
InChIInChI=1S/C15H22FN3O/c1-15(2,3)18-9-11-8-12(16)4-5-13(11)19-7-6-17-14(20)10-19/h4-5,8,18H,6-7,9-10H2,1-3H3,(H,17,20)
InChIKeyKCCKIGCCDXUGDC-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.65
Rot. Bonds3

About 4-[2-[(tert-butylamino)methyl]-4-fluorophenyl]piperazin-2-one

4-[2-[(tert-butylamino)methyl]-4-fluorophenyl]piperazin-2-one (PubChem CID 63059984) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-[2-[(tert-butylamino)methyl]-4-fluorophenyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[(tert-butylamino)methyl]-4-fluorophenyl]piperazin-2-one
PubChem CID63059984
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name4-[2-[(tert-butylamino)methyl]-4-fluorophenyl]piperazin-2-one
SMILESCC(C)(C)NCc1cc(F)ccc1N1CCNC(=O)C1
InChIInChI=1S/C15H22FN3O/c1-15(2,3)18-9-11-8-12(16)4-5-13(11)19-7-6-17-14(20)10-19/h4-5,8,18H,6-7,9-10H2,1-3H3,(H,17,20)
InChIKeyKCCKIGCCDXUGDC-UHFFFAOYSA-N
XLogP1.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-[(tert-butylamino)methyl]-4-fluorophenyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lidocaine
CID 3676
Prilocaine
CID 4906
Monoethylglycinexylidide
CID 24415
Mepivacaine Hydrochloride
CID 66070
Prilocaine Hydrochloride
CID 92163
Levobupivacaine
CID 92253
Mepivacaine
CID 4062
Ropivacaine
CID 175805
Lidocaine Hydrochloride
CID 6314
Bupivacaine (USAN:INN:BAN)
CID 2474
2-((2,6-Dimethylphenyl)amino)-N,N,N-triethyl-2-oxoethanaminium
CID 3925
Cvt-2738
CID 2608606

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(tert-butylamino)methyl]-4-fluorophenyl]piperazin-2-one?
The IUPAC name of 4-[2-[(tert-butylamino)methyl]-4-fluorophenyl]piperazin-2-one (CID 63059984) is 4-[2-[(tert-butylamino)methyl]-4-fluorophenyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[(tert-butylamino)methyl]-4-fluorophenyl]piperazin-2-one?
The canonical SMILES for 4-[2-[(tert-butylamino)methyl]-4-fluorophenyl]piperazin-2-one is CC(C)(C)NCc1cc(F)ccc1N1CCNC(=O)C1.
What is the InChIKey of 4-[2-[(tert-butylamino)methyl]-4-fluorophenyl]piperazin-2-one?
The InChIKey is KCCKIGCCDXUGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-15(2,3)18-9-11-8-12(16)4-5-13(11)19-7-6-17-14(20)10-19/h4-5,8,18H,6-7,9-10H2,1-3H3,(H,17,20).
What are the key properties of 4-[2-[(tert-butylamino)methyl]-4-fluorophenyl]piperazin-2-one?
4-[2-[(tert-butylamino)methyl]-4-fluorophenyl]piperazin-2-one has a molecular weight of 279.36 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(tert-butylamino)methyl]-4-fluorophenyl]piperazin-2-one is sourced from PubChem (CID 63059984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).