4-(3-fluorophenyl)-1-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-3-methylbutan-1-one

C19H28FNO2 — CID 126835524

IUPAC4-(3-fluorophenyl)-1-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(CC(=O)N1CCC(C(C)CO)CC1)Cc1cccc(F)c1
InChIInChI=1S/C19H28FNO2/c1-14(10-16-4-3-5-18(20)12-16)11-19(23)21-8-6-17(7-9-21)15(2)13-22/h3-5,12,14-15,17,22H,6-11,13H2,1-2H3
InChIKeySGAVUNSTGOJMBE-UHFFFAOYSA-N
MW321.44 g/mol
LogP3.26
Rot. Bonds6

About 4-(3-fluorophenyl)-1-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-3-methylbutan-1-one

4-(3-fluorophenyl)-1-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 126835524) has the molecular formula C19H28FNO2 and a molecular weight of 321.44 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-3-methylbutan-1-one
PubChem CID126835524
Molecular FormulaC19H28FNO2
Molecular Weight321.44 g/mol
Exact Mass321.21
IUPAC Name4-(3-fluorophenyl)-1-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(CC(=O)N1CCC(C(C)CO)CC1)Cc1cccc(F)c1
InChIInChI=1S/C19H28FNO2/c1-14(10-16-4-3-5-18(20)12-16)11-19(23)21-8-6-17(7-9-21)15(2)13-22/h3-5,12,14-15,17,22H,6-11,13H2,1-2H3
InChIKeySGAVUNSTGOJMBE-UHFFFAOYSA-N
XLogP3.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one
CID 119376448
4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 71866997
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-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide
CID 126819981
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63596909
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 106839289
2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
CID 51093724
4-[4-(1-aminoethyl)piperidin-1-yl]-1-(3-fluorophenyl)-2-methylbutane-1,4-dione;hydrochloride
CID 119517719
4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 120736192
1-[4-[3-(3-fluorophenyl)propanoyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110604587
3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
CID 110819641

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 4-(3-fluorophenyl)-1-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-3-methylbutan-1-one (CID 126835524) is 4-(3-fluorophenyl)-1-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 4-(3-fluorophenyl)-1-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 4-(3-fluorophenyl)-1-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-3-methylbutan-1-one is CC(CC(=O)N1CCC(C(C)CO)CC1)Cc1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-1-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is SGAVUNSTGOJMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FNO2/c1-14(10-16-4-3-5-18(20)12-16)11-19(23)21-8-6-17(7-9-21)15(2)13-22/h3-5,12,14-15,17,22H,6-11,13H2,1-2H3.
What are the key properties of 4-(3-fluorophenyl)-1-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-3-methylbutan-1-one?
4-(3-fluorophenyl)-1-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 321.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 126835524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).