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

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CID 15723883
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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).