4,4-difluoro-1-methylpiperidine;bis(1,4-dimethylpiperazine);1,3-dimethylpyrrolidine

C24H52F2N6 — CID 161274417

IUPAC4,4-difluoro-1-methylpiperidine;bis(1,4-dimethylpiperazine);1,3-dimethylpyrrolidine
SMILESCC1CCN(C)C1.CN1CCC(F)(F)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C6H11F2N.2C6H14N2.C6H13N/c1-9-4-2-6(7,8)3-5-9;2*1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6/h2-5H2,1H3;2*3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyVEGADPBVJQCEEX-UHFFFAOYSA-N
MW462.72 g/mol
LogP2.03
Rot. Bonds

About 4,4-difluoro-1-methylpiperidine;bis(1,4-dimethylpiperazine);1,3-dimethylpyrrolidine

4,4-difluoro-1-methylpiperidine;bis(1,4-dimethylpiperazine);1,3-dimethylpyrrolidine (PubChem CID 161274417) has the molecular formula C24H52F2N6 and a molecular weight of 462.72 g/mol. Its IUPAC name is 4,4-difluoro-1-methylpiperidine;bis(1,4-dimethylpiperazine);1,3-dimethylpyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-1-methylpiperidine;bis(1,4-dimethylpiperazine);1,3-dimethylpyrrolidine
PubChem CID161274417
Molecular FormulaC24H52F2N6
Molecular Weight462.72 g/mol
Exact Mass462.42
IUPAC Name4,4-difluoro-1-methylpiperidine;bis(1,4-dimethylpiperazine);1,3-dimethylpyrrolidine
SMILESCC1CCN(C)C1.CN1CCC(F)(F)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C6H11F2N.2C6H14N2.C6H13N/c1-9-4-2-6(7,8)3-5-9;2*1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6/h2-5H2,1H3;2*3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyVEGADPBVJQCEEX-UHFFFAOYSA-N
XLogP2.03
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.72
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methylpiperidine;bis(1,4-dimethylpiperazine);1,3-dimethylpyrrolidine?
The IUPAC name of 4,4-difluoro-1-methylpiperidine;bis(1,4-dimethylpiperazine);1,3-dimethylpyrrolidine (CID 161274417) is 4,4-difluoro-1-methylpiperidine;bis(1,4-dimethylpiperazine);1,3-dimethylpyrrolidine.
What is the SMILES notation for 4,4-difluoro-1-methylpiperidine;bis(1,4-dimethylpiperazine);1,3-dimethylpyrrolidine?
The canonical SMILES for 4,4-difluoro-1-methylpiperidine;bis(1,4-dimethylpiperazine);1,3-dimethylpyrrolidine is CC1CCN(C)C1.CN1CCC(F)(F)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1.
What is the InChIKey of 4,4-difluoro-1-methylpiperidine;bis(1,4-dimethylpiperazine);1,3-dimethylpyrrolidine?
The InChIKey is VEGADPBVJQCEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.2C6H14N2.C6H13N/c1-9-4-2-6(7,8)3-5-9;2*1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6/h2-5H2,1H3;2*3-6H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 4,4-difluoro-1-methylpiperidine;bis(1,4-dimethylpiperazine);1,3-dimethylpyrrolidine?
4,4-difluoro-1-methylpiperidine;bis(1,4-dimethylpiperazine);1,3-dimethylpyrrolidine has a molecular weight of 462.72 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methylpiperidine;bis(1,4-dimethylpiperazine);1,3-dimethylpyrrolidine is sourced from PubChem (CID 161274417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).