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

C18H40N2O — CID 144911249

IUPACethane;4-[(1-methylpiperidin-4-yl)methyl]morpholine;pentane
SMILESCC.CCCCC.CN1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C11H22N2O.C5H12.C2H6/c1-12-4-2-11(3-5-12)10-13-6-8-14-9-7-13;1-3-5-4-2;1-2/h11H,2-10H2,1H3;3-5H2,1-2H3;1-2H3
InChIKeyHCPWBALXPSCBEH-UHFFFAOYSA-N
MW300.53 g/mol
LogP3.88
Rot. Bonds4

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

ethane;4-[(1-methylpiperidin-4-yl)methyl]morpholine;pentane (PubChem CID 144911249) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is ethane;4-[(1-methylpiperidin-4-yl)methyl]morpholine;pentane.

Molecular Properties

Compound Nameethane;4-[(1-methylpiperidin-4-yl)methyl]morpholine;pentane
PubChem CID144911249
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC Nameethane;4-[(1-methylpiperidin-4-yl)methyl]morpholine;pentane
SMILESCC.CCCCC.CN1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C11H22N2O.C5H12.C2H6/c1-12-4-2-11(3-5-12)10-13-6-8-14-9-7-13;1-3-5-4-2;1-2/h11H,2-10H2,1H3;3-5H2,1-2H3;1-2H3
InChIKeyHCPWBALXPSCBEH-UHFFFAOYSA-N
XLogP3.88
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[(1-methylpiperidin-4-yl)methyl]morpholine;pentane?
The IUPAC name of ethane;4-[(1-methylpiperidin-4-yl)methyl]morpholine;pentane (CID 144911249) is ethane;4-[(1-methylpiperidin-4-yl)methyl]morpholine;pentane.
What is the SMILES notation for ethane;4-[(1-methylpiperidin-4-yl)methyl]morpholine;pentane?
The canonical SMILES for ethane;4-[(1-methylpiperidin-4-yl)methyl]morpholine;pentane is CC.CCCCC.CN1CCC(CN2CCOCC2)CC1.
What is the InChIKey of ethane;4-[(1-methylpiperidin-4-yl)methyl]morpholine;pentane?
The InChIKey is HCPWBALXPSCBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C5H12.C2H6/c1-12-4-2-11(3-5-12)10-13-6-8-14-9-7-13;1-3-5-4-2;1-2/h11H,2-10H2,1H3;3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;4-[(1-methylpiperidin-4-yl)methyl]morpholine;pentane?
ethane;4-[(1-methylpiperidin-4-yl)methyl]morpholine;pentane has a molecular weight of 300.53 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(1-methylpiperidin-4-yl)methyl]morpholine;pentane is sourced from PubChem (CID 144911249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).