1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine

C20H32FN3 — CID 84589032

IUPAC1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
SMILESCC1CCN(CCN2CCN(CCc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C20H32FN3/c1-18-6-9-22(10-7-18)12-15-24-16-13-23(14-17-24)11-8-19-2-4-20(21)5-3-19/h2-5,18H,6-17H2,1H3
InChIKeyOAFPNJDTGAXARZ-UHFFFAOYSA-N
MW333.49 g/mol
LogP2.72
Rot. Bonds6

About 1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine

1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine (PubChem CID 84589032) has the molecular formula C20H32FN3 and a molecular weight of 333.49 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
PubChem CID84589032
Molecular FormulaC20H32FN3
Molecular Weight333.49 g/mol
Exact Mass333.26
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
SMILESCC1CCN(CCN2CCN(CCc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C20H32FN3/c1-18-6-9-22(10-7-18)12-15-24-16-13-23(14-17-24)11-8-19-2-4-20(21)5-3-19/h2-5,18H,6-17H2,1H3
InChIKeyOAFPNJDTGAXARZ-UHFFFAOYSA-N
XLogP2.72
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.49
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
1-[2-(3-bromo-5-fluorophenyl)ethyl]-4-methylpiperidine
CID 171396188
1-[2-(4-chlorophenyl)ethyl]-4-methylazepane
CID 166314408
(3S)-1-[2-(4-fluorophenyl)ethyl]-3-methylpiperazine
CID 68527749
1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol
CID 110905075
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111229102
1-[3-(4-fluorophenyl)propyl]piperidin-4-ol
CID 21180751
4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride
CID 141054261
1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone
CID 10360079
1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine
CID 90898405
4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110290641
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine (CID 84589032) is 1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine is CC1CCN(CCN2CCN(CCc3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine?
The InChIKey is OAFPNJDTGAXARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN3/c1-18-6-9-22(10-7-18)12-15-24-16-13-23(14-17-24)11-8-19-2-4-20(21)5-3-19/h2-5,18H,6-17H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine?
1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine has a molecular weight of 333.49 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine is sourced from PubChem (CID 84589032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).