1-(3,3-dimethylpentyl)-2,2-difluoropiperazine

C11H22F2N2 — CID 155118517

IUPAC1-(3,3-dimethylpentyl)-2,2-difluoropiperazine
SMILESCCC(C)(C)CCN1CCNCC1(F)F
InChIInChI=1S/C11H22F2N2/c1-4-10(2,3)5-7-15-8-6-14-9-11(15,12)13/h14H,4-9H2,1-3H3
InChIKeyGUIZOWQUZPHFNG-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.31
Rot. Bonds4

About 1-(3,3-dimethylpentyl)-2,2-difluoropiperazine

1-(3,3-dimethylpentyl)-2,2-difluoropiperazine (PubChem CID 155118517) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(3,3-dimethylpentyl)-2,2-difluoropiperazine.

Molecular Properties

Compound Name1-(3,3-dimethylpentyl)-2,2-difluoropiperazine
PubChem CID155118517
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name1-(3,3-dimethylpentyl)-2,2-difluoropiperazine
SMILESCCC(C)(C)CCN1CCNCC1(F)F
InChIInChI=1S/C11H22F2N2/c1-4-10(2,3)5-7-15-8-6-14-9-11(15,12)13/h14H,4-9H2,1-3H3
InChIKeyGUIZOWQUZPHFNG-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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Related Compounds

2-(4,4-Dimethylpiperidin-1-yl)ethan-1-amine
CID 62936164
Dimethyl((4-methylpiperidin-4-yl)methyl)amine
CID 63122792
1-Methyl-4-((4-methylpiperidin-4-yl)methyl)piperazine
CID 63123006
1-(3,3,3-Trifluoro-2,2-dimethylpropyl)piperazine
CID 117273381
4-(2,2-Dimethylpropyl)-2,2-difluoropiperidine;ethane
CID 163663590
6,6-Difluoro-2-methyl-2,8-diazaspiro(4.5)decane
CID 155893548
2-(3,3,3-Trifluoropropyl)-2,8-diazaspiro[4.5]decane
CID 56705019
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine
CID 55219725
4-Tert-butyl-3,3-difluoropiperidine
CID 58394942
(S)-2-isobutyl-1-(2,2,2-trifluoroethyl)piperazine
CID 58612005
N-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]propan-2-amine
CID 58718148
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 59472438

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpentyl)-2,2-difluoropiperazine?
The IUPAC name of 1-(3,3-dimethylpentyl)-2,2-difluoropiperazine (CID 155118517) is 1-(3,3-dimethylpentyl)-2,2-difluoropiperazine.
What is the SMILES notation for 1-(3,3-dimethylpentyl)-2,2-difluoropiperazine?
The canonical SMILES for 1-(3,3-dimethylpentyl)-2,2-difluoropiperazine is CCC(C)(C)CCN1CCNCC1(F)F.
What is the InChIKey of 1-(3,3-dimethylpentyl)-2,2-difluoropiperazine?
The InChIKey is GUIZOWQUZPHFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-4-10(2,3)5-7-15-8-6-14-9-11(15,12)13/h14H,4-9H2,1-3H3.
What are the key properties of 1-(3,3-dimethylpentyl)-2,2-difluoropiperazine?
1-(3,3-dimethylpentyl)-2,2-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)-2,2-difluoropiperazine is sourced from PubChem (CID 155118517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).