1-(2-fluoropropyl)-4-propan-2-ylpiperazine

C10H21FN2 — CID 58366831

IUPAC1-(2-fluoropropyl)-4-propan-2-ylpiperazine
SMILESCC(F)CN1CCN(C(C)C)CC1
InChIInChI=1S/C10H21FN2/c1-9(2)13-6-4-12(5-7-13)8-10(3)11/h9-10H,4-8H2,1-3H3
InChIKeyIRVZODZXAHJQQZ-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.37
Rot. Bonds3

About 1-(2-fluoropropyl)-4-propan-2-ylpiperazine

1-(2-fluoropropyl)-4-propan-2-ylpiperazine (PubChem CID 58366831) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-(2-fluoropropyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-fluoropropyl)-4-propan-2-ylpiperazine
PubChem CID58366831
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name1-(2-fluoropropyl)-4-propan-2-ylpiperazine
SMILESCC(F)CN1CCN(C(C)C)CC1
InChIInChI=1S/C10H21FN2/c1-9(2)13-6-4-12(5-7-13)8-10(3)11/h9-10H,4-8H2,1-3H3
InChIKeyIRVZODZXAHJQQZ-UHFFFAOYSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropropyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(2-fluoropropyl)-4-propan-2-ylpiperazine (CID 58366831) is 1-(2-fluoropropyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-fluoropropyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-fluoropropyl)-4-propan-2-ylpiperazine is CC(F)CN1CCN(C(C)C)CC1.
What is the InChIKey of 1-(2-fluoropropyl)-4-propan-2-ylpiperazine?
The InChIKey is IRVZODZXAHJQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-9(2)13-6-4-12(5-7-13)8-10(3)11/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(2-fluoropropyl)-4-propan-2-ylpiperazine?
1-(2-fluoropropyl)-4-propan-2-ylpiperazine has a molecular weight of 188.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropropyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 58366831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).