2,2-diethyl-1-(3-fluoropropyl)-5-propan-2-ylpiperazine

C14H29FN2 — CID 81113954

IUPAC2,2-diethyl-1-(3-fluoropropyl)-5-propan-2-ylpiperazine
SMILESCCC1(CC)CNC(C(C)C)CN1CCCF
InChIInChI=1S/C14H29FN2/c1-5-14(6-2)11-16-13(12(3)4)10-17(14)9-7-8-15/h12-13,16H,5-11H2,1-4H3
InChIKeyVKBXYSOZGBPHPL-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.83
Rot. Bonds6

About 2,2-diethyl-1-(3-fluoropropyl)-5-propan-2-ylpiperazine

2,2-diethyl-1-(3-fluoropropyl)-5-propan-2-ylpiperazine (PubChem CID 81113954) has the molecular formula C14H29FN2 and a molecular weight of 244.40 g/mol. Its IUPAC name is 2,2-diethyl-1-(3-fluoropropyl)-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2,2-diethyl-1-(3-fluoropropyl)-5-propan-2-ylpiperazine
PubChem CID81113954
Molecular FormulaC14H29FN2
Molecular Weight244.40 g/mol
Exact Mass244.23
IUPAC Name2,2-diethyl-1-(3-fluoropropyl)-5-propan-2-ylpiperazine
SMILESCCC1(CC)CNC(C(C)C)CN1CCCF
InChIInChI=1S/C14H29FN2/c1-5-14(6-2)11-16-13(12(3)4)10-17(14)9-7-8-15/h12-13,16H,5-11H2,1-4H3
InChIKeyVKBXYSOZGBPHPL-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-1-(3-fluoropropyl)-5-propan-2-ylpiperazine?
The IUPAC name of 2,2-diethyl-1-(3-fluoropropyl)-5-propan-2-ylpiperazine (CID 81113954) is 2,2-diethyl-1-(3-fluoropropyl)-5-propan-2-ylpiperazine.
What is the SMILES notation for 2,2-diethyl-1-(3-fluoropropyl)-5-propan-2-ylpiperazine?
The canonical SMILES for 2,2-diethyl-1-(3-fluoropropyl)-5-propan-2-ylpiperazine is CCC1(CC)CNC(C(C)C)CN1CCCF.
What is the InChIKey of 2,2-diethyl-1-(3-fluoropropyl)-5-propan-2-ylpiperazine?
The InChIKey is VKBXYSOZGBPHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2/c1-5-14(6-2)11-16-13(12(3)4)10-17(14)9-7-8-15/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 2,2-diethyl-1-(3-fluoropropyl)-5-propan-2-ylpiperazine?
2,2-diethyl-1-(3-fluoropropyl)-5-propan-2-ylpiperazine has a molecular weight of 244.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1-(3-fluoropropyl)-5-propan-2-ylpiperazine is sourced from PubChem (CID 81113954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).