1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-propan-2-ylpiperazine

C14H27F2N3 — CID 170386531

IUPAC1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-propan-2-ylpiperazine
SMILESCCN1CCC(N2CCN(C(C)C)CC2)C(F)(F)C1
InChIInChI=1S/C14H27F2N3/c1-4-17-6-5-13(14(15,16)11-17)19-9-7-18(8-10-19)12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyNGIQGOIVYHOANW-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.74
Rot. Bonds3

About 1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-propan-2-ylpiperazine

1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-propan-2-ylpiperazine (PubChem CID 170386531) has the molecular formula C14H27F2N3 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-propan-2-ylpiperazine
PubChem CID170386531
Molecular FormulaC14H27F2N3
Molecular Weight275.39 g/mol
Exact Mass275.22
IUPAC Name1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-propan-2-ylpiperazine
SMILESCCN1CCC(N2CCN(C(C)C)CC2)C(F)(F)C1
InChIInChI=1S/C14H27F2N3/c1-4-17-6-5-13(14(15,16)11-17)19-9-7-18(8-10-19)12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyNGIQGOIVYHOANW-UHFFFAOYSA-N
XLogP1.74
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.74
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-propan-2-ylpiperazine?
The IUPAC name of 1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-propan-2-ylpiperazine (CID 170386531) is 1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-propan-2-ylpiperazine is CCN1CCC(N2CCN(C(C)C)CC2)C(F)(F)C1.
What is the InChIKey of 1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-propan-2-ylpiperazine?
The InChIKey is NGIQGOIVYHOANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2N3/c1-4-17-6-5-13(14(15,16)11-17)19-9-7-18(8-10-19)12(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-propan-2-ylpiperazine?
1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-propan-2-ylpiperazine has a molecular weight of 275.39 g/mol, XLogP of 1.74, 3 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-propan-2-ylpiperazine is sourced from PubChem (CID 170386531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).