2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one

C19H29FN4O — CID 56887015

IUPAC2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)N1CCCC(N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C19H29FN4O/c1-19(2,21)18(25)24-9-5-6-15(14-24)22-10-12-23(13-11-22)17-8-4-3-7-16(17)20/h3-4,7-8,15H,5-6,9-14,21H2,1-2H3
InChIKeyVJSYVJZRMCCIFN-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.68
Rot. Bonds3

About 2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one

2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 56887015) has the molecular formula C19H29FN4O and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID56887015
Molecular FormulaC19H29FN4O
Molecular Weight348.47 g/mol
Exact Mass348.23
IUPAC Name2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)N1CCCC(N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C19H29FN4O/c1-19(2,21)18(25)24-9-5-6-15(14-24)22-10-12-23(13-11-22)17-8-4-3-7-16(17)20/h3-4,7-8,15H,5-6,9-14,21H2,1-2H3
InChIKeyVJSYVJZRMCCIFN-UHFFFAOYSA-N
XLogP1.68
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 45219211
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 45187407
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 24817356
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 45170167
2-[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]chromen-4-one
CID 42198354
6-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one
CID 42198864
1-[4-(2-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-piperidin-1-ylpropane-1,3-dione
CID 108958783
2,2,2-trifluoro-1-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110344243
[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 42291710
1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine
CID 2846614
1-cyclohexyl-4-(2-fluorophenyl)piperazine;propane
CID 143719363
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 24719056

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one (CID 56887015) is 2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)(N)C(=O)N1CCCC(N2CCN(c3ccccc3F)CC2)C1.
What is the InChIKey of 2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is VJSYVJZRMCCIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O/c1-19(2,21)18(25)24-9-5-6-15(14-24)22-10-12-23(13-11-22)17-8-4-3-7-16(17)20/h3-4,7-8,15H,5-6,9-14,21H2,1-2H3.
What are the key properties of 2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one?
2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 348.47 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 56887015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).