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

C19H28FN3OS — CID 45219211

IUPAC1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
SMILESCSCCC(=O)N1CCCC(N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C19H28FN3OS/c1-25-14-8-19(24)23-9-4-5-16(15-23)21-10-12-22(13-11-21)18-7-3-2-6-17(18)20/h2-3,6-7,16H,4-5,8-15H2,1H3
InChIKeyBAIAVWFJJIIWDA-UHFFFAOYSA-N
MW365.52 g/mol
LogP2.69
Rot. Bonds5

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

1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one (PubChem CID 45219211) has the molecular formula C19H28FN3OS and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
PubChem CID45219211
Molecular FormulaC19H28FN3OS
Molecular Weight365.52 g/mol
Exact Mass365.19
IUPAC Name1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
SMILESCSCCC(=O)N1CCCC(N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C19H28FN3OS/c1-25-14-8-19(24)23-9-4-5-16(15-23)21-10-12-22(13-11-21)18-7-3-2-6-17(18)20/h2-3,6-7,16H,4-5,8-15H2,1H3
InChIKeyBAIAVWFJJIIWDA-UHFFFAOYSA-N
XLogP2.69
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 26337291
2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 56887015
[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-methoxyphenyl)methanone
CID 45187407
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 45249744
2-(4-methylsulfanylphenyl)-1-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 25274910
3-(3-fluorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 45200463
1-cyclohexyl-4-(2-fluorophenyl)piperazine;propane
CID 143719363
6-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one
CID 42198864
3-methoxy-1-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one
CID 26405812
[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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one?
The IUPAC name of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one (CID 45219211) is 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one.
What is the SMILES notation for 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one?
The canonical SMILES for 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one is CSCCC(=O)N1CCCC(N2CCN(c3ccccc3F)CC2)C1.
What is the InChIKey of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one?
The InChIKey is BAIAVWFJJIIWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3OS/c1-25-14-8-19(24)23-9-4-5-16(15-23)21-10-12-22(13-11-21)18-7-3-2-6-17(18)20/h2-3,6-7,16H,4-5,8-15H2,1H3.
What are the key properties of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one?
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one has a molecular weight of 365.52 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one is sourced from PubChem (CID 45219211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).