4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methylcyclohexane;bis(1-methylpiperidine)

C31H65F2N5 — CID 160510839

IUPAC4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methylcyclohexane;bis(1-methylpiperidine)
SMILESCC1CCCCC1.CN1CCC(F)(F)CC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C7H14.C6H11F2N.C6H14N2.2C6H13N/c1-7-5-3-2-4-6-7;1-9-4-2-6(7,8)3-5-9;1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7/h7H,2-6H2,1H3;2-5H2,1H3;3-6H2,1-2H3;2*2-6H2,1H3
InChIKeyQTAGBLJNVIZFJJ-UHFFFAOYSA-N
MW545.89 g/mol
LogP6.00
Rot. Bonds

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

4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methylcyclohexane;bis(1-methylpiperidine) (PubChem CID 160510839) has the molecular formula C31H65F2N5 and a molecular weight of 545.89 g/mol. Its IUPAC name is 4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methylcyclohexane;bis(1-methylpiperidine).

Molecular Properties

Compound Name4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methylcyclohexane;bis(1-methylpiperidine)
PubChem CID160510839
Molecular FormulaC31H65F2N5
Molecular Weight545.89 g/mol
Exact Mass545.52
IUPAC Name4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methylcyclohexane;bis(1-methylpiperidine)
SMILESCC1CCCCC1.CN1CCC(F)(F)CC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C7H14.C6H11F2N.C6H14N2.2C6H13N/c1-7-5-3-2-4-6-7;1-9-4-2-6(7,8)3-5-9;1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7/h7H,2-6H2,1H3;2-5H2,1H3;3-6H2,1-2H3;2*2-6H2,1H3
InChIKeyQTAGBLJNVIZFJJ-UHFFFAOYSA-N
XLogP6.00
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.89
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methylcyclohexane;bis(1-methylpiperidine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methylcyclohexane;bis(1-methylpiperidine)?
The IUPAC name of 4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methylcyclohexane;bis(1-methylpiperidine) (CID 160510839) is 4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methylcyclohexane;bis(1-methylpiperidine).
What is the SMILES notation for 4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methylcyclohexane;bis(1-methylpiperidine)?
The canonical SMILES for 4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methylcyclohexane;bis(1-methylpiperidine) is CC1CCCCC1.CN1CCC(F)(F)CC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.
What is the InChIKey of 4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methylcyclohexane;bis(1-methylpiperidine)?
The InChIKey is QTAGBLJNVIZFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C6H11F2N.C6H14N2.2C6H13N/c1-7-5-3-2-4-6-7;1-9-4-2-6(7,8)3-5-9;1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7/h7H,2-6H2,1H3;2-5H2,1H3;3-6H2,1-2H3;2*2-6H2,1H3.
What are the key properties of 4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methylcyclohexane;bis(1-methylpiperidine)?
4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methylcyclohexane;bis(1-methylpiperidine) has a molecular weight of 545.89 g/mol, XLogP of 6.00, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methylcyclohexane;bis(1-methylpiperidine) is sourced from PubChem (CID 160510839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).