4-but-3-en-2-yl-2-(2-fluoropropyl)-1-propan-2-ylpiperazine

C14H27FN2 — CID 148614921

IUPAC4-but-3-en-2-yl-2-(2-fluoropropyl)-1-propan-2-ylpiperazine
SMILESC=CC(C)N1CCN(C(C)C)C(CC(C)F)C1
InChIInChI=1S/C14H27FN2/c1-6-13(5)16-7-8-17(11(2)3)14(10-16)9-12(4)15/h6,11-14H,1,7-10H2,2-5H3
InChIKeyCTQYFTZWJBIRLN-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.70
Rot. Bonds5

About 4-but-3-en-2-yl-2-(2-fluoropropyl)-1-propan-2-ylpiperazine

4-but-3-en-2-yl-2-(2-fluoropropyl)-1-propan-2-ylpiperazine (PubChem CID 148614921) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is 4-but-3-en-2-yl-2-(2-fluoropropyl)-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name4-but-3-en-2-yl-2-(2-fluoropropyl)-1-propan-2-ylpiperazine
PubChem CID148614921
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name4-but-3-en-2-yl-2-(2-fluoropropyl)-1-propan-2-ylpiperazine
SMILESC=CC(C)N1CCN(C(C)C)C(CC(C)F)C1
InChIInChI=1S/C14H27FN2/c1-6-13(5)16-7-8-17(11(2)3)14(10-16)9-12(4)15/h6,11-14H,1,7-10H2,2-5H3
InChIKeyCTQYFTZWJBIRLN-UHFFFAOYSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-en-2-yl-2-(2-fluoropropyl)-1-propan-2-ylpiperazine?
The IUPAC name of 4-but-3-en-2-yl-2-(2-fluoropropyl)-1-propan-2-ylpiperazine (CID 148614921) is 4-but-3-en-2-yl-2-(2-fluoropropyl)-1-propan-2-ylpiperazine.
What is the SMILES notation for 4-but-3-en-2-yl-2-(2-fluoropropyl)-1-propan-2-ylpiperazine?
The canonical SMILES for 4-but-3-en-2-yl-2-(2-fluoropropyl)-1-propan-2-ylpiperazine is C=CC(C)N1CCN(C(C)C)C(CC(C)F)C1.
What is the InChIKey of 4-but-3-en-2-yl-2-(2-fluoropropyl)-1-propan-2-ylpiperazine?
The InChIKey is CTQYFTZWJBIRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2/c1-6-13(5)16-7-8-17(11(2)3)14(10-16)9-12(4)15/h6,11-14H,1,7-10H2,2-5H3.
What are the key properties of 4-but-3-en-2-yl-2-(2-fluoropropyl)-1-propan-2-ylpiperazine?
4-but-3-en-2-yl-2-(2-fluoropropyl)-1-propan-2-ylpiperazine has a molecular weight of 242.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-en-2-yl-2-(2-fluoropropyl)-1-propan-2-ylpiperazine is sourced from PubChem (CID 148614921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).