1-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one

C19H22FN3O — CID 84586134

IUPAC1-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCN(c2ncccc2F)CC1)c1ccccc1
InChIInChI=1S/C19H22FN3O/c1-15(16-6-3-2-4-7-16)14-18(24)22-10-12-23(13-11-22)19-17(20)8-5-9-21-19/h2-9,15H,10-14H2,1H3
InChIKeyHIPQKYFNEQWOTK-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.06
Rot. Bonds4

About 1-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one

1-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one (PubChem CID 84586134) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one
PubChem CID84586134
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name1-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCN(c2ncccc2F)CC1)c1ccccc1
InChIInChI=1S/C19H22FN3O/c1-15(16-6-3-2-4-7-16)14-18(24)22-10-12-23(13-11-22)19-17(20)8-5-9-21-19/h2-9,15H,10-14H2,1H3
InChIKeyHIPQKYFNEQWOTK-UHFFFAOYSA-N
XLogP3.06
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]pyridine-3-carboxylate
CID 97307047
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one
CID 87006631
N-[2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 75393207
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 110297247
5,6-dimethyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 47072340
2,2-dimethyl-1-[4-(3-phenylbutanoyl)piperazin-1-yl]propan-1-one
CID 134021523
3-phenyl-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]butan-1-one
CID 121187552
4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 146123535
1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one
CID 110352133
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
3-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 78769873

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one?
The IUPAC name of 1-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one (CID 84586134) is 1-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one.
What is the SMILES notation for 1-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one?
The canonical SMILES for 1-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one is CC(CC(=O)N1CCN(c2ncccc2F)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one?
The InChIKey is HIPQKYFNEQWOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-15(16-6-3-2-4-7-16)14-18(24)22-10-12-23(13-11-22)19-17(20)8-5-9-21-19/h2-9,15H,10-14H2,1H3.
What are the key properties of 1-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one?
1-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one has a molecular weight of 327.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 84586134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).