[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone

C16H24FN3O — CID 81479699

IUPAC[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(C(C)(C)CN)CC2)c1F
InChIInChI=1S/C16H24FN3O/c1-12-5-4-6-13(14(12)17)15(21)19-7-9-20(10-8-19)16(2,3)11-18/h4-6H,7-11,18H2,1-3H3
InChIKeyDNQQWDFUZFOFAX-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.63
Rot. Bonds3

About [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone

[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone (PubChem CID 81479699) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
PubChem CID81479699
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(C(C)(C)CN)CC2)c1F
InChIInChI=1S/C16H24FN3O/c1-12-5-4-6-13(14(12)17)15(21)19-7-9-20(10-8-19)16(2,3)11-18/h4-6H,7-11,18H2,1-3H3
InChIKeyDNQQWDFUZFOFAX-UHFFFAOYSA-N
XLogP1.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate
CID 80710422
[4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 154833021
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 63340998
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone
CID 63341086
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 63341090
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81479698
(2-fluoro-3-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80717951
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 80710685
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 107721319
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-fluoro-3-methylphenyl)methanone
CID 80711261
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 63340870
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2-fluoro-3-methylphenyl)methanone
CID 115776511

Frequently Asked Questions

What is the IUPAC name of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone?
The IUPAC name of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone (CID 81479699) is [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone?
The canonical SMILES for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCN(C(C)(C)CN)CC2)c1F.
What is the InChIKey of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone?
The InChIKey is DNQQWDFUZFOFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-12-5-4-6-13(14(12)17)15(21)19-7-9-20(10-8-19)16(2,3)11-18/h4-6H,7-11,18H2,1-3H3.
What are the key properties of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone?
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone has a molecular weight of 293.39 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 81479699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).