1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone

C20H29FN2O2 — CID 110608652

IUPAC1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
SMILESO=C(CC1CCCCO1)N1CCN(CCCc2ccccc2F)CC1
InChIInChI=1S/C20H29FN2O2/c21-19-9-2-1-6-17(19)7-5-10-22-11-13-23(14-12-22)20(24)16-18-8-3-4-15-25-18/h1-2,6,9,18H,3-5,7-8,10-16H2
InChIKeyKBYFJWYOFKKAAR-UHFFFAOYSA-N
MW348.46 g/mol
LogP2.86
Rot. Bonds6

About 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone

1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone (PubChem CID 110608652) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
PubChem CID110608652
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
SMILESO=C(CC1CCCCO1)N1CCN(CCCc2ccccc2F)CC1
InChIInChI=1S/C20H29FN2O2/c21-19-9-2-1-6-17(19)7-5-10-22-11-13-23(14-12-22)20(24)16-18-8-3-4-15-25-18/h1-2,6,9,18H,3-5,7-8,10-16H2
InChIKeyKBYFJWYOFKKAAR-UHFFFAOYSA-N
XLogP2.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413324
1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110608462
1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110611235
1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 92616693
(4-fluorophenyl)-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]methanone
CID 110413339
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone
CID 110602312
2-[(2-fluorophenyl)methyl]oxane
CID 20724373
1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 70718975
3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110611726
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105421
2-(2-fluorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122337007
1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 43251243

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone?
The IUPAC name of 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone (CID 110608652) is 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone.
What is the SMILES notation for 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone?
The canonical SMILES for 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone is O=C(CC1CCCCO1)N1CCN(CCCc2ccccc2F)CC1.
What is the InChIKey of 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone?
The InChIKey is KBYFJWYOFKKAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c21-19-9-2-1-6-17(19)7-5-10-22-11-13-23(14-12-22)20(24)16-18-8-3-4-15-25-18/h1-2,6,9,18H,3-5,7-8,10-16H2.
What are the key properties of 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone?
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone has a molecular weight of 348.46 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone is sourced from PubChem (CID 110608652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).