1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]-4-propan-2-ylpiperazine

C20H32FN3 — CID 70912989

IUPAC1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCCc1ccc(N2CCC(N3CCN(C(C)C)CC3)CC2)c(F)c1
InChIInChI=1S/C20H32FN3/c1-4-17-5-6-20(19(21)15-17)24-9-7-18(8-10-24)23-13-11-22(12-14-23)16(2)3/h5-6,15-16,18H,4,7-14H2,1-3H3
InChIKeyUDODRZPYUHPOLF-UHFFFAOYSA-N
MW333.50 g/mol
LogP3.38
Rot. Bonds4

About 1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]-4-propan-2-ylpiperazine

1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]-4-propan-2-ylpiperazine (PubChem CID 70912989) has the molecular formula C20H32FN3 and a molecular weight of 333.50 g/mol. Its IUPAC name is 1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]-4-propan-2-ylpiperazine
PubChem CID70912989
Molecular FormulaC20H32FN3
Molecular Weight333.50 g/mol
Exact Mass333.26
IUPAC Name1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCCc1ccc(N2CCC(N3CCN(C(C)C)CC3)CC2)c(F)c1
InChIInChI=1S/C20H32FN3/c1-4-17-5-6-20(19(21)15-17)24-9-7-18(8-10-24)23-13-11-22(12-14-23)16(2)3/h5-6,15-16,18H,4,7-14H2,1-3H3
InChIKeyUDODRZPYUHPOLF-UHFFFAOYSA-N
XLogP3.38
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-methyl-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]aniline
CID 143719345
ethyl 1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]piperidine-4-carboxylate
CID 70669914
[4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol
CID 62369446
1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine
CID 20613804
N-[[3-fluoro-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499514
[4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine
CID 62773221
1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine
CID 178164768
1-(4-butan-2-yl-2-fluorophenyl)-4-(oxan-4-yl)piperazine
CID 135291685
1-(2-fluoro-4-methylphenyl)-4-(4-methylpiperidin-1-yl)piperidine
CID 90191101
1-(4-tert-butyl-2-fluorophenyl)-4-pyrrolidin-1-ylpiperidine
CID 59295552
1-[4-(bromomethyl)-2-fluorophenyl]-N,N-dimethylpiperidin-4-amine
CID 107080540
1-[4-(chloromethyl)-2-fluorophenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 63170129

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]-4-propan-2-ylpiperazine (CID 70912989) is 1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]-4-propan-2-ylpiperazine is CCc1ccc(N2CCC(N3CCN(C(C)C)CC3)CC2)c(F)c1.
What is the InChIKey of 1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]-4-propan-2-ylpiperazine?
The InChIKey is UDODRZPYUHPOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN3/c1-4-17-5-6-20(19(21)15-17)24-9-7-18(8-10-24)23-13-11-22(12-14-23)16(2)3/h5-6,15-16,18H,4,7-14H2,1-3H3.
What are the key properties of 1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]-4-propan-2-ylpiperazine?
1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]-4-propan-2-ylpiperazine has a molecular weight of 333.50 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 70912989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).