1-[4-fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one

C18H34FN3O — CID 177302310

IUPAC1-[4-fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)CN1CCN(CC2(F)CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C18H34FN3O/c1-15(2)13-20-9-11-21(12-10-20)14-18(19)5-7-22(8-6-18)17(23)16(3)4/h15-16H,5-14H2,1-4H3
InChIKeyWLKCJGGTLAVTLM-UHFFFAOYSA-N
MW327.49 g/mol
LogP2.25
Rot. Bonds5

About 1-[4-fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 177302310) has the molecular formula C18H34FN3O and a molecular weight of 327.49 g/mol. Its IUPAC name is 1-[4-fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID177302310
Molecular FormulaC18H34FN3O
Molecular Weight327.49 g/mol
Exact Mass327.27
IUPAC Name1-[4-fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)CN1CCN(CC2(F)CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C18H34FN3O/c1-15(2)13-20-9-11-21(12-10-20)14-18(19)5-7-22(8-6-18)17(23)16(3)4/h15-16H,5-14H2,1-4H3
InChIKeyWLKCJGGTLAVTLM-UHFFFAOYSA-N
XLogP2.25
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

1-tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
CID 153484479
1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 166113547
1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane
CID 91334879
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119831591
ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 155707184
ethane;1-[4-fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 177354793
1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one
CID 156795061
1-[4-fluoro-4-(1-hydroxyethenyl)piperidin-1-yl]-2-methylpropan-1-one
CID 122675589
2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 60962672
1-[4-fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 166113245
1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 4069425
2-methyl-1-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 58912894

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one (CID 177302310) is 1-[4-fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)CN1CCN(CC2(F)CCN(C(=O)C(C)C)CC2)CC1.
What is the InChIKey of 1-[4-fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is WLKCJGGTLAVTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34FN3O/c1-15(2)13-20-9-11-21(12-10-20)14-18(19)5-7-22(8-6-18)17(23)16(3)4/h15-16H,5-14H2,1-4H3.
What are the key properties of 1-[4-fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 327.49 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 177302310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).