1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one

C16H23FN2O — CID 119376448

IUPAC1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one
SMILESCC(CC(=O)N1CCC(N)CC1)Cc1cccc(F)c1
InChIInChI=1S/C16H23FN2O/c1-12(9-13-3-2-4-14(17)11-13)10-16(20)19-7-5-15(18)6-8-19/h2-4,11-12,15H,5-10,18H2,1H3
InChIKeyLRGGWTHKGOOIMP-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.34
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one

1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one (PubChem CID 119376448) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one
PubChem CID119376448
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one
SMILESCC(CC(=O)N1CCC(N)CC1)Cc1cccc(F)c1
InChIInChI=1S/C16H23FN2O/c1-12(9-13-3-2-4-14(17)11-13)10-16(20)19-7-5-15(18)6-8-19/h2-4,11-12,15H,5-10,18H2,1H3
InChIKeyLRGGWTHKGOOIMP-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluorophenyl)-1-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 126835524
4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 71866997
1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide
CID 126819981
1-[1-[4-(3-fluorophenyl)-3-methylbutanoyl]piperidin-4-yl]pyrrolidin-2-one
CID 71984328
1-(1,4-diazepan-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one
CID 119418218
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63596909
2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
CID 51093724
4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 120736192
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 106839289
1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
CID 119374164
1-[4-[3-(3-fluorophenyl)propanoyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110604587

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one (CID 119376448) is 1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one is CC(CC(=O)N1CCC(N)CC1)Cc1cccc(F)c1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one?
The InChIKey is LRGGWTHKGOOIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12(9-13-3-2-4-14(17)11-13)10-16(20)19-7-5-15(18)6-8-19/h2-4,11-12,15H,5-10,18H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one?
1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one has a molecular weight of 278.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one is sourced from PubChem (CID 119376448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).