1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine

C12H23F2N3 — CID 170397196

IUPAC1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine
SMILESCCN1CCC(N2CCN(C)CC2)C(F)(F)C1
InChIInChI=1S/C12H23F2N3/c1-3-16-5-4-11(12(13,14)10-16)17-8-6-15(2)7-9-17/h11H,3-10H2,1-2H3
InChIKeySWUJHSOUUQYIEZ-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.96
Rot. Bonds2

About 1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine

1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine (PubChem CID 170397196) has the molecular formula C12H23F2N3 and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine
PubChem CID170397196
Molecular FormulaC12H23F2N3
Molecular Weight247.33 g/mol
Exact Mass247.19
IUPAC Name1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine
SMILESCCN1CCC(N2CCN(C)CC2)C(F)(F)C1
InChIInChI=1S/C12H23F2N3/c1-3-16-5-4-11(12(13,14)10-16)17-8-6-15(2)7-9-17/h11H,3-10H2,1-2H3
InChIKeySWUJHSOUUQYIEZ-UHFFFAOYSA-N
XLogP0.96
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine?
The IUPAC name of 1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine (CID 170397196) is 1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine?
The canonical SMILES for 1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine is CCN1CCC(N2CCN(C)CC2)C(F)(F)C1.
What is the InChIKey of 1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine?
The InChIKey is SWUJHSOUUQYIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N3/c1-3-16-5-4-11(12(13,14)10-16)17-8-6-15(2)7-9-17/h11H,3-10H2,1-2H3.
What are the key properties of 1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine?
1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine has a molecular weight of 247.33 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine is sourced from PubChem (CID 170397196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).