2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine

C14H29FN2 — CID 81113839

IUPAC2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
SMILESCCC1(C)CN(CCCF)C(C(C)(C)C)CN1
InChIInChI=1S/C14H29FN2/c1-6-14(5)11-17(9-7-8-15)12(10-16-14)13(2,3)4/h12,16H,6-11H2,1-5H3
InChIKeyALVGNZGRQHZXGR-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.83
Rot. Bonds4

About 2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine

2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine (PubChem CID 81113839) has the molecular formula C14H29FN2 and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
PubChem CID81113839
Molecular FormulaC14H29FN2
Molecular Weight244.40 g/mol
Exact Mass244.23
IUPAC Name2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
SMILESCCC1(C)CN(CCCF)C(C(C)(C)C)CN1
InChIInChI=1S/C14H29FN2/c1-6-14(5)11-17(9-7-8-15)12(10-16-14)13(2,3)4/h12,16H,6-11H2,1-5H3
InChIKeyALVGNZGRQHZXGR-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine?
The IUPAC name of 2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine (CID 81113839) is 2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine.
What is the SMILES notation for 2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine?
The canonical SMILES for 2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine is CCC1(C)CN(CCCF)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine?
The InChIKey is ALVGNZGRQHZXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2/c1-6-14(5)11-17(9-7-8-15)12(10-16-14)13(2,3)4/h12,16H,6-11H2,1-5H3.
What are the key properties of 2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine?
2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine has a molecular weight of 244.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine is sourced from PubChem (CID 81113839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).