5,5-diethyl-1-(3-fluoropropyl)-2-propylpiperazine

C14H29FN2 — CID 81114324

IUPAC5,5-diethyl-1-(3-fluoropropyl)-2-propylpiperazine
SMILESCCCC1CNC(CC)(CC)CN1CCCF
InChIInChI=1S/C14H29FN2/c1-4-8-13-11-16-14(5-2,6-3)12-17(13)10-7-9-15/h13,16H,4-12H2,1-3H3
InChIKeyLMTZAFQCKPYWGQ-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.98
Rot. Bonds7

About 5,5-diethyl-1-(3-fluoropropyl)-2-propylpiperazine

5,5-diethyl-1-(3-fluoropropyl)-2-propylpiperazine (PubChem CID 81114324) has the molecular formula C14H29FN2 and a molecular weight of 244.40 g/mol. Its IUPAC name is 5,5-diethyl-1-(3-fluoropropyl)-2-propylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-(3-fluoropropyl)-2-propylpiperazine
PubChem CID81114324
Molecular FormulaC14H29FN2
Molecular Weight244.40 g/mol
Exact Mass244.23
IUPAC Name5,5-diethyl-1-(3-fluoropropyl)-2-propylpiperazine
SMILESCCCC1CNC(CC)(CC)CN1CCCF
InChIInChI=1S/C14H29FN2/c1-4-8-13-11-16-14(5-2,6-3)12-17(13)10-7-9-15/h13,16H,4-12H2,1-3H3
InChIKeyLMTZAFQCKPYWGQ-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-(3-fluoropropyl)-2-propylpiperazine?
The IUPAC name of 5,5-diethyl-1-(3-fluoropropyl)-2-propylpiperazine (CID 81114324) is 5,5-diethyl-1-(3-fluoropropyl)-2-propylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-(3-fluoropropyl)-2-propylpiperazine?
The canonical SMILES for 5,5-diethyl-1-(3-fluoropropyl)-2-propylpiperazine is CCCC1CNC(CC)(CC)CN1CCCF.
What is the InChIKey of 5,5-diethyl-1-(3-fluoropropyl)-2-propylpiperazine?
The InChIKey is LMTZAFQCKPYWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2/c1-4-8-13-11-16-14(5-2,6-3)12-17(13)10-7-9-15/h13,16H,4-12H2,1-3H3.
What are the key properties of 5,5-diethyl-1-(3-fluoropropyl)-2-propylpiperazine?
5,5-diethyl-1-(3-fluoropropyl)-2-propylpiperazine has a molecular weight of 244.40 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-(3-fluoropropyl)-2-propylpiperazine is sourced from PubChem (CID 81114324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).