1-ethyl-4-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)ethyl]piperazine

C15H29F2N3 — CID 154672255

IUPAC1-ethyl-4-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)ethyl]piperazine
SMILESCCN1CCN(CCC2CCN(CC)CC2(F)F)CC1
InChIInChI=1S/C15H29F2N3/c1-3-18-9-11-20(12-10-18)8-6-14-5-7-19(4-2)13-15(14,16)17/h14H,3-13H2,1-2H3
InChIKeyNJYRJGKNYXTIGV-UHFFFAOYSA-N
MW289.41 g/mol
LogP1.99
Rot. Bonds5

About 1-ethyl-4-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)ethyl]piperazine

1-ethyl-4-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)ethyl]piperazine (PubChem CID 154672255) has the molecular formula C15H29F2N3 and a molecular weight of 289.41 g/mol. Its IUPAC name is 1-ethyl-4-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)ethyl]piperazine
PubChem CID154672255
Molecular FormulaC15H29F2N3
Molecular Weight289.41 g/mol
Exact Mass289.23
IUPAC Name1-ethyl-4-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)ethyl]piperazine
SMILESCCN1CCN(CCC2CCN(CC)CC2(F)F)CC1
InChIInChI=1S/C15H29F2N3/c1-3-18-9-11-20(12-10-18)8-6-14-5-7-19(4-2)13-15(14,16)17/h14H,3-13H2,1-2H3
InChIKeyNJYRJGKNYXTIGV-UHFFFAOYSA-N
XLogP1.99
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Propyl-4-(trifluoromethyl)piperidine
CID 17951327
1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine
CID 99837117
Piperidine, 1,1'-(1,2-ethanediyl)bis[3-methyl-
CID 107031
1-(4-Methylpentyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 20811798
1-(3-Methylbutyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 20811808
4-Ethyl-1-(2,2,2-trifluoroethyl)piperidine
CID 23381152
1-(2,2-Difluoroethyl)-4-ethylpiperidine
CID 57553432
1-Butyl-4-(trifluoromethyl)piperidine
CID 58742115
4-Methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 60206400
3,3-difluoro-1-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]piperidine
CID 66580792
3,3-difluoro-1-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperidine
CID 66580866
1,4-Diethyl-3,3-difluoropiperidine
CID 68260670

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)ethyl]piperazine?
The IUPAC name of 1-ethyl-4-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)ethyl]piperazine (CID 154672255) is 1-ethyl-4-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)ethyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)ethyl]piperazine?
The canonical SMILES for 1-ethyl-4-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)ethyl]piperazine is CCN1CCN(CCC2CCN(CC)CC2(F)F)CC1.
What is the InChIKey of 1-ethyl-4-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)ethyl]piperazine?
The InChIKey is NJYRJGKNYXTIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F2N3/c1-3-18-9-11-20(12-10-18)8-6-14-5-7-19(4-2)13-15(14,16)17/h14H,3-13H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)ethyl]piperazine?
1-ethyl-4-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)ethyl]piperazine has a molecular weight of 289.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)ethyl]piperazine is sourced from PubChem (CID 154672255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).