1-(3-fluoropropyl)-4-methylpiperazine

C8H17FN2 — CID 20649680

IUPAC1-(3-fluoropropyl)-4-methylpiperazine
SMILESCN1CCN(CCCF)CC1
InChIInChI=1S/C8H17FN2/c1-10-5-7-11(8-6-10)4-2-3-9/h2-8H2,1H3
InChIKeyGTYJHOCBLVJHRE-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.59
Rot. Bonds3

About 1-(3-fluoropropyl)-4-methylpiperazine

1-(3-fluoropropyl)-4-methylpiperazine (PubChem CID 20649680) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-methylpiperazine
PubChem CID20649680
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name1-(3-fluoropropyl)-4-methylpiperazine
SMILESCN1CCN(CCCF)CC1
InChIInChI=1S/C8H17FN2/c1-10-5-7-11(8-6-10)4-2-3-9/h2-8H2,1H3
InChIKeyGTYJHOCBLVJHRE-UHFFFAOYSA-N
XLogP0.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-methylpiperazine?
The IUPAC name of 1-(3-fluoropropyl)-4-methylpiperazine (CID 20649680) is 1-(3-fluoropropyl)-4-methylpiperazine.
What is the SMILES notation for 1-(3-fluoropropyl)-4-methylpiperazine?
The canonical SMILES for 1-(3-fluoropropyl)-4-methylpiperazine is CN1CCN(CCCF)CC1.
What is the InChIKey of 1-(3-fluoropropyl)-4-methylpiperazine?
The InChIKey is GTYJHOCBLVJHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-10-5-7-11(8-6-10)4-2-3-9/h2-8H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-4-methylpiperazine?
1-(3-fluoropropyl)-4-methylpiperazine has a molecular weight of 160.24 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-methylpiperazine is sourced from PubChem (CID 20649680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).