(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C25H32FN3O — CID 9431608

IUPAC(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H32FN3O/c1-20(27-15-17-28(18-16-27)24-9-7-23(26)8-10-24)25(30)29-13-11-22(12-14-29)19-21-5-3-2-4-6-21/h2-10,20,22H,11-19H2,1H3/t20-/m0/s1
InChIKeyXJWINARCZXSCND-FQEVSTJZSA-N
MW409.55 g/mol
LogP3.82
Rot. Bonds5

About (2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 9431608) has the molecular formula C25H32FN3O and a molecular weight of 409.55 g/mol. Its IUPAC name is (2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID9431608
Molecular FormulaC25H32FN3O
Molecular Weight409.55 g/mol
Exact Mass409.25
IUPAC Name(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H32FN3O/c1-20(27-15-17-28(18-16-27)24-9-7-23(26)8-10-24)25(30)29-13-11-22(12-14-29)19-21-5-3-2-4-6-21/h2-10,20,22H,11-19H2,1H3/t20-/m0/s1
InChIKeyXJWINARCZXSCND-FQEVSTJZSA-N
XLogP3.82
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 119375838
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 17496772
1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119349611
(2R)-1-(4-benzylpiperidin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9445663
1-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)propan-1-one
CID 13345092
1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 653752
2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110023755
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208
(2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 34894788
2-(4-benzylpiperidin-1-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119646213
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 9431608) is (2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is XJWINARCZXSCND-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H32FN3O/c1-20(27-15-17-28(18-16-27)24-9-7-23(26)8-10-24)25(30)29-13-11-22(12-14-29)19-21-5-3-2-4-6-21/h2-10,20,22H,11-19H2,1H3/t20-/m0/s1.
What are the key properties of (2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 409.55 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 9431608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).