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

C33H73F2N5 — CID 158438877

IUPAC4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methane;methylcyclohexane;bis(1-methylpiperidine)
SMILESC.C.CC1CCCCC1.CN1CCC(F)(F)CC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C7H14.C6H11F2N.C6H14N2.2C6H13N.2CH4/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;2*1H4
InChIKeyHCOKPNUQLIORSG-UHFFFAOYSA-N
MW577.98 g/mol
LogP7.27
Rot. Bonds

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

4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methane;methylcyclohexane;bis(1-methylpiperidine) (PubChem CID 158438877) has the molecular formula C33H73F2N5 and a molecular weight of 577.98 g/mol. Its IUPAC name is 4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methane;methylcyclohexane;bis(1-methylpiperidine).

Molecular Properties

Compound Name4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methane;methylcyclohexane;bis(1-methylpiperidine)
PubChem CID158438877
Molecular FormulaC33H73F2N5
Molecular Weight577.98 g/mol
Exact Mass577.58
IUPAC Name4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methane;methylcyclohexane;bis(1-methylpiperidine)
SMILESC.C.CC1CCCCC1.CN1CCC(F)(F)CC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C7H14.C6H11F2N.C6H14N2.2C6H13N.2CH4/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;2*1H4
InChIKeyHCOKPNUQLIORSG-UHFFFAOYSA-N
XLogP7.27
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.98
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

5,5-Difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine
CID 145329471
1-Methyl-4-[6-(1-methylpiperidin-4-yl)-5-(4-propan-2-ylpiperazin-1-yl)-7-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]octan-2-yl]piperazine
CID 156160648
1-(cyclohexylmethyl)-4-(1,1-difluoro-3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(3,3-dimethylbutyl)piperidine;N-(3,3-dimethylbutyl)-N,3,3-trimethylbutan-1-amine;N-(4,4-dimethylpentyl)-N,4,4-trimethylpentan-1-amine;N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butan-1-amine;N,3,3-trimethyl-N-(3-piperidin-1-ylpropyl)butan-1-amine;N,4,4-trimethyl-N-(3-piperidin-1-ylpropyl)pentan-1-amine
CID 157314956
1-(2,2-Difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2-fluoroethyl)-4-propan-2-ylpiperidine;1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 159741560
1-(2,2-Difluoroethyl)-4-propan-2-ylpiperidine;bis(1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine);4-propan-2-yl-1-propylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 160337939
4,4-Difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methylcyclohexane;bis(1-methylpiperidine)
CID 160510839
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine)
CID 164947690
1-Hexadecyl-4-[6-(4-hexadecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)-2,3,4,5-tetramethylhexyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 57831551
1-Methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine
CID 135279336
1,4-Dimethylpiperazine;4-fluoro-1,4-dimethylpiperidine;methylcyclohexane;1-methylpiperidine
CID 161146552
1,4-Dimethylcyclohexane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane
CID 162105750

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methane;methylcyclohexane;bis(1-methylpiperidine)?
The IUPAC name of 4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methane;methylcyclohexane;bis(1-methylpiperidine) (CID 158438877) is 4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methane;methylcyclohexane;bis(1-methylpiperidine).
What is the SMILES notation for 4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methane;methylcyclohexane;bis(1-methylpiperidine)?
The canonical SMILES for 4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methane;methylcyclohexane;bis(1-methylpiperidine) is C.C.CC1CCCCC1.CN1CCC(F)(F)CC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.
What is the InChIKey of 4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methane;methylcyclohexane;bis(1-methylpiperidine)?
The InChIKey is HCOKPNUQLIORSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C6H11F2N.C6H14N2.2C6H13N.2CH4/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;2*1H4.
What are the key properties of 4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methane;methylcyclohexane;bis(1-methylpiperidine)?
4,4-difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methane;methylcyclohexane;bis(1-methylpiperidine) has a molecular weight of 577.98 g/mol, XLogP of 7.27, 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;methane;methylcyclohexane;bis(1-methylpiperidine) is sourced from PubChem (CID 158438877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).