ethane;1-methyl-4-piperidin-1-ylpiperidine;propane

C16H36N2 — CID 143818996

IUPACethane;1-methyl-4-piperidin-1-ylpiperidine;propane
SMILESCC.CCC.CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C11H22N2.C3H8.C2H6/c1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-3-2;1-2/h11H,2-10H2,1H3;3H2,1-2H3;1-2H3
InChIKeyKOGAMLXZVNOWCG-UHFFFAOYSA-N
MW256.48 g/mol
LogP4.01
Rot. Bonds1

About ethane;1-methyl-4-piperidin-1-ylpiperidine;propane

ethane;1-methyl-4-piperidin-1-ylpiperidine;propane (PubChem CID 143818996) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is ethane;1-methyl-4-piperidin-1-ylpiperidine;propane.

Molecular Properties

Compound Nameethane;1-methyl-4-piperidin-1-ylpiperidine;propane
PubChem CID143818996
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Nameethane;1-methyl-4-piperidin-1-ylpiperidine;propane
SMILESCC.CCC.CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C11H22N2.C3H8.C2H6/c1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-3-2;1-2/h11H,2-10H2,1H3;3H2,1-2H3;1-2H3
InChIKeyKOGAMLXZVNOWCG-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-piperidin-1-ylpiperidine;propane?
The IUPAC name of ethane;1-methyl-4-piperidin-1-ylpiperidine;propane (CID 143818996) is ethane;1-methyl-4-piperidin-1-ylpiperidine;propane.
What is the SMILES notation for ethane;1-methyl-4-piperidin-1-ylpiperidine;propane?
The canonical SMILES for ethane;1-methyl-4-piperidin-1-ylpiperidine;propane is CC.CCC.CN1CCC(N2CCCCC2)CC1.
What is the InChIKey of ethane;1-methyl-4-piperidin-1-ylpiperidine;propane?
The InChIKey is KOGAMLXZVNOWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C3H8.C2H6/c1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-3-2;1-2/h11H,2-10H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-4-piperidin-1-ylpiperidine;propane?
ethane;1-methyl-4-piperidin-1-ylpiperidine;propane has a molecular weight of 256.48 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-piperidin-1-ylpiperidine;propane is sourced from PubChem (CID 143818996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).