1-(2-fluorophenyl)-4-(4-methylpiperidin-3-yl)piperazine

C16H24FN3 — CID 66271782

IUPAC1-(2-fluorophenyl)-4-(4-methylpiperidin-3-yl)piperazine
SMILESCC1CCNCC1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H24FN3/c1-13-6-7-18-12-16(13)20-10-8-19(9-11-20)15-5-3-2-4-14(15)17/h2-5,13,16,18H,6-12H2,1H3
InChIKeyPVQWHHCUNPYTGK-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.95
Rot. Bonds2

About 1-(2-fluorophenyl)-4-(4-methylpiperidin-3-yl)piperazine

1-(2-fluorophenyl)-4-(4-methylpiperidin-3-yl)piperazine (PubChem CID 66271782) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(4-methylpiperidin-3-yl)piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(4-methylpiperidin-3-yl)piperazine
PubChem CID66271782
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name1-(2-fluorophenyl)-4-(4-methylpiperidin-3-yl)piperazine
SMILESCC1CCNCC1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H24FN3/c1-13-6-7-18-12-16(13)20-10-8-19(9-11-20)15-5-3-2-4-14(15)17/h2-5,13,16,18H,6-12H2,1H3
InChIKeyPVQWHHCUNPYTGK-UHFFFAOYSA-N
XLogP1.95
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(4-methylpiperidin-3-yl)piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-(4-methylpiperidin-3-yl)piperazine (CID 66271782) is 1-(2-fluorophenyl)-4-(4-methylpiperidin-3-yl)piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(4-methylpiperidin-3-yl)piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-(4-methylpiperidin-3-yl)piperazine is CC1CCNCC1N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-(4-methylpiperidin-3-yl)piperazine?
The InChIKey is PVQWHHCUNPYTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-13-6-7-18-12-16(13)20-10-8-19(9-11-20)15-5-3-2-4-14(15)17/h2-5,13,16,18H,6-12H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-4-(4-methylpiperidin-3-yl)piperazine?
1-(2-fluorophenyl)-4-(4-methylpiperidin-3-yl)piperazine has a molecular weight of 277.39 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(4-methylpiperidin-3-yl)piperazine is sourced from PubChem (CID 66271782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).