1-(1,2-difluoro-3,3-dimethylpentyl)piperazine

C11H22F2N2 — CID 155118473

IUPAC1-(1,2-difluoro-3,3-dimethylpentyl)piperazine
SMILESCCC(C)(C)C(F)C(F)N1CCNCC1
InChIInChI=1S/C11H22F2N2/c1-4-11(2,3)9(12)10(13)15-7-5-14-6-8-15/h9-10,14H,4-8H2,1-3H3
InChIKeyBEAXRYVAXADPLC-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.96
Rot. Bonds4

About 1-(1,2-difluoro-3,3-dimethylpentyl)piperazine

1-(1,2-difluoro-3,3-dimethylpentyl)piperazine (PubChem CID 155118473) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(1,2-difluoro-3,3-dimethylpentyl)piperazine.

Molecular Properties

Compound Name1-(1,2-difluoro-3,3-dimethylpentyl)piperazine
PubChem CID155118473
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name1-(1,2-difluoro-3,3-dimethylpentyl)piperazine
SMILESCCC(C)(C)C(F)C(F)N1CCNCC1
InChIInChI=1S/C11H22F2N2/c1-4-11(2,3)9(12)10(13)15-7-5-14-6-8-15/h9-10,14H,4-8H2,1-3H3
InChIKeyBEAXRYVAXADPLC-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-difluoro-3,3-dimethylpentyl)piperazine?
The IUPAC name of 1-(1,2-difluoro-3,3-dimethylpentyl)piperazine (CID 155118473) is 1-(1,2-difluoro-3,3-dimethylpentyl)piperazine.
What is the SMILES notation for 1-(1,2-difluoro-3,3-dimethylpentyl)piperazine?
The canonical SMILES for 1-(1,2-difluoro-3,3-dimethylpentyl)piperazine is CCC(C)(C)C(F)C(F)N1CCNCC1.
What is the InChIKey of 1-(1,2-difluoro-3,3-dimethylpentyl)piperazine?
The InChIKey is BEAXRYVAXADPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-4-11(2,3)9(12)10(13)15-7-5-14-6-8-15/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 1-(1,2-difluoro-3,3-dimethylpentyl)piperazine?
1-(1,2-difluoro-3,3-dimethylpentyl)piperazine has a molecular weight of 220.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-difluoro-3,3-dimethylpentyl)piperazine is sourced from PubChem (CID 155118473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).