ethane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine

C27H60N4O — CID 145138835

IUPACethane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine
SMILESCC.CC.CC.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCOCC2)CC1
InChIInChI=1S/C11H22N2.C10H20N2O.3C2H6/c1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-11-4-2-10(3-5-11)12-6-8-13-9-7-12;3*1-2/h11H,2-10H2,1H3;10H,2-9H2,1H3;3*1-2H3
InChIKeyMHRJOQCYCDVFQU-UHFFFAOYSA-N
MW456.80 g/mol
LogP5.06
Rot. Bonds2

About ethane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine

ethane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine (PubChem CID 145138835) has the molecular formula C27H60N4O and a molecular weight of 456.80 g/mol. Its IUPAC name is ethane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Nameethane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine
PubChem CID145138835
Molecular FormulaC27H60N4O
Molecular Weight456.80 g/mol
Exact Mass456.48
IUPAC Nameethane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine
SMILESCC.CC.CC.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCOCC2)CC1
InChIInChI=1S/C11H22N2.C10H20N2O.3C2H6/c1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-11-4-2-10(3-5-11)12-6-8-13-9-7-12;3*1-2/h11H,2-10H2,1H3;10H,2-9H2,1H3;3*1-2H3
InChIKeyMHRJOQCYCDVFQU-UHFFFAOYSA-N
XLogP5.06
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.80
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine?
The IUPAC name of ethane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine (CID 145138835) is ethane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine.
What is the SMILES notation for ethane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine?
The canonical SMILES for ethane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine is CC.CC.CC.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCOCC2)CC1.
What is the InChIKey of ethane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine?
The InChIKey is MHRJOQCYCDVFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C10H20N2O.3C2H6/c1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-11-4-2-10(3-5-11)12-6-8-13-9-7-12;3*1-2/h11H,2-10H2,1H3;10H,2-9H2,1H3;3*1-2H3.
What are the key properties of ethane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine?
ethane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine has a molecular weight of 456.80 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 145138835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).