ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine

C21H50N2 — CID 90926152

IUPACethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine
SMILESCC.CC.CC.CC.CC1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N2.4C2H6/c1-12-3-9-15(10-4-12)11-13-5-7-14(2)8-6-13;4*1-2/h12-13H,3-11H2,1-2H3;4*1-2H3
InChIKeyQERYKTZVBRRGBU-UHFFFAOYSA-N
MW330.65 g/mol
LogP6.16
Rot. Bonds2

About ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine

ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine (PubChem CID 90926152) has the molecular formula C21H50N2 and a molecular weight of 330.65 g/mol. Its IUPAC name is ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Nameethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine
PubChem CID90926152
Molecular FormulaC21H50N2
Molecular Weight330.65 g/mol
Exact Mass330.40
IUPAC Nameethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine
SMILESCC.CC.CC.CC.CC1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N2.4C2H6/c1-12-3-9-15(10-4-12)11-13-5-7-14(2)8-6-13;4*1-2/h12-13H,3-11H2,1-2H3;4*1-2H3
InChIKeyQERYKTZVBRRGBU-UHFFFAOYSA-N
XLogP6.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.65
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,3-Dimethylpiperidin-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride
CID 57402902
1-Methyl-1-azoniabicyclo[2.2.2]octane
CID 155481
Piperidinium, 1-methyl-1-propyl-4-(2-(propyldimethylammonio)ethyl)-, diiodide
CID 3048556
Piperidinium, 1,1',1'-trimethyl-1,4'-ethylenedi-, diiodide
CID 3048569
1,1'-Dimethyl-4,4'-bipiperidine
CID 177611
1,3-Di-(3-methylpiperidino)propane dihydrochloride
CID 13610537
1,4-Di-(3-methylpiperidino)butane dihydrochloride
CID 13794402
1-(2-Methyl-4-piperidin-1-ylbutyl)piperidine
CID 11128366
4,4'-Dimethyl-[1,1']bipiperidinyl
CID 12402790
1-Ethyl-1-azabicyclo[2.2.2]octan-1-ium
CID 13652288
1-Propyl-1-azoniabicyclo[2.2.2]octane
CID 14642664
1-Butyl-1-azoniabicyclo[2.2.2]octane
CID 14642666

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine?
The IUPAC name of ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine (CID 90926152) is ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine.
What is the SMILES notation for ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine?
The canonical SMILES for ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine is CC.CC.CC.CC.CC1CCN(CC2CCN(C)CC2)CC1.
What is the InChIKey of ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine?
The InChIKey is QERYKTZVBRRGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.4C2H6/c1-12-3-9-15(10-4-12)11-13-5-7-14(2)8-6-13;4*1-2/h12-13H,3-11H2,1-2H3;4*1-2H3.
What are the key properties of ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine?
ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine has a molecular weight of 330.65 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine is sourced from PubChem (CID 90926152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).