1-(1-ethylpiperidin-4-yl)-4-(4-fluorophenyl)piperazine

C17H26FN3 — CID 783789

IUPAC1-(1-ethylpiperidin-4-yl)-4-(4-fluorophenyl)piperazine
SMILESCCN1CCC(N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C17H26FN3/c1-2-19-9-7-17(8-10-19)21-13-11-20(12-14-21)16-5-3-15(18)4-6-16/h3-6,17H,2,7-14H2,1H3
InChIKeyTVTQANIMWNRISS-UHFFFAOYSA-N
MW291.41 g/mol
LogP2.43
Rot. Bonds3

About 1-(1-ethylpiperidin-4-yl)-4-(4-fluorophenyl)piperazine

1-(1-ethylpiperidin-4-yl)-4-(4-fluorophenyl)piperazine (PubChem CID 783789) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-4-(4-fluorophenyl)piperazine
PubChem CID783789
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC Name1-(1-ethylpiperidin-4-yl)-4-(4-fluorophenyl)piperazine
SMILESCCN1CCC(N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C17H26FN3/c1-2-19-9-7-17(8-10-19)21-13-11-20(12-14-21)16-5-3-15(18)4-6-16/h3-6,17H,2,7-14H2,1H3
InChIKeyTVTQANIMWNRISS-UHFFFAOYSA-N
XLogP2.43
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-4-(4-fluorophenyl)piperazine (CID 783789) is 1-(1-ethylpiperidin-4-yl)-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-4-(4-fluorophenyl)piperazine is CCN1CCC(N2CCN(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-4-(4-fluorophenyl)piperazine?
The InChIKey is TVTQANIMWNRISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c1-2-19-9-7-17(8-10-19)21-13-11-20(12-14-21)16-5-3-15(18)4-6-16/h3-6,17H,2,7-14H2,1H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-4-(4-fluorophenyl)piperazine?
1-(1-ethylpiperidin-4-yl)-4-(4-fluorophenyl)piperazine has a molecular weight of 291.41 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 783789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).