1-(3,3-dimethylpentyl)-3,3-difluoropiperazine

C11H22F2N2 — CID 155118505

IUPAC1-(3,3-dimethylpentyl)-3,3-difluoropiperazine
SMILESCCC(C)(C)CCN1CCNC(F)(F)C1
InChIInChI=1S/C11H22F2N2/c1-4-10(2,3)5-7-15-8-6-14-11(12,13)9-15/h14H,4-9H2,1-3H3
InChIKeyYJNBDDJDQCZPJX-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.31
Rot. Bonds4

About 1-(3,3-dimethylpentyl)-3,3-difluoropiperazine

1-(3,3-dimethylpentyl)-3,3-difluoropiperazine (PubChem CID 155118505) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(3,3-dimethylpentyl)-3,3-difluoropiperazine.

Molecular Properties

Compound Name1-(3,3-dimethylpentyl)-3,3-difluoropiperazine
PubChem CID155118505
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name1-(3,3-dimethylpentyl)-3,3-difluoropiperazine
SMILESCCC(C)(C)CCN1CCNC(F)(F)C1
InChIInChI=1S/C11H22F2N2/c1-4-10(2,3)5-7-15-8-6-14-11(12,13)9-15/h14H,4-9H2,1-3H3
InChIKeyYJNBDDJDQCZPJX-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
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-(3,3-dimethylpentyl)-3,3-difluoropiperazine?
The IUPAC name of 1-(3,3-dimethylpentyl)-3,3-difluoropiperazine (CID 155118505) is 1-(3,3-dimethylpentyl)-3,3-difluoropiperazine.
What is the SMILES notation for 1-(3,3-dimethylpentyl)-3,3-difluoropiperazine?
The canonical SMILES for 1-(3,3-dimethylpentyl)-3,3-difluoropiperazine is CCC(C)(C)CCN1CCNC(F)(F)C1.
What is the InChIKey of 1-(3,3-dimethylpentyl)-3,3-difluoropiperazine?
The InChIKey is YJNBDDJDQCZPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-4-10(2,3)5-7-15-8-6-14-11(12,13)9-15/h14H,4-9H2,1-3H3.
What are the key properties of 1-(3,3-dimethylpentyl)-3,3-difluoropiperazine?
1-(3,3-dimethylpentyl)-3,3-difluoropiperazine has a molecular weight of 220.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpentyl)-3,3-difluoropiperazine is sourced from PubChem (CID 155118505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).