1-[2-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]-4-methylpiperazine

C19H36F2N4 — CID 170253919

IUPAC1-[2-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]-4-methylpiperazine
SMILESCN1CCN(CCC2CCN(CCN3CCC(F)(F)CC3)CC2)CC1
InChIInChI=1S/C19H36F2N4/c1-22-12-14-24(15-13-22)9-4-18-2-7-23(8-3-18)16-17-25-10-5-19(20,21)6-11-25/h18H,2-17H2,1H3
InChIKeyFHYXLNJQOBOAGK-UHFFFAOYSA-N
MW358.52 g/mol
LogP2.07
Rot. Bonds6

About 1-[2-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]-4-methylpiperazine

1-[2-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]-4-methylpiperazine (PubChem CID 170253919) has the molecular formula C19H36F2N4 and a molecular weight of 358.52 g/mol. Its IUPAC name is 1-[2-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]-4-methylpiperazine
PubChem CID170253919
Molecular FormulaC19H36F2N4
Molecular Weight358.52 g/mol
Exact Mass358.29
IUPAC Name1-[2-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]-4-methylpiperazine
SMILESCN1CCN(CCC2CCN(CCN3CCC(F)(F)CC3)CC2)CC1
InChIInChI=1S/C19H36F2N4/c1-22-12-14-24(15-13-22)9-4-18-2-7-23(8-3-18)16-17-25-10-5-19(20,21)6-11-25/h18H,2-17H2,1H3
InChIKeyFHYXLNJQOBOAGK-UHFFFAOYSA-N
XLogP2.07
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]-4-methylpiperazine (CID 170253919) is 1-[2-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]-4-methylpiperazine is CN1CCN(CCC2CCN(CCN3CCC(F)(F)CC3)CC2)CC1.
What is the InChIKey of 1-[2-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]-4-methylpiperazine?
The InChIKey is FHYXLNJQOBOAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36F2N4/c1-22-12-14-24(15-13-22)9-4-18-2-7-23(8-3-18)16-17-25-10-5-19(20,21)6-11-25/h18H,2-17H2,1H3.
What are the key properties of 1-[2-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]-4-methylpiperazine?
1-[2-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]-4-methylpiperazine has a molecular weight of 358.52 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]-4-methylpiperazine is sourced from PubChem (CID 170253919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).