4-[(Z)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine

C20H38N2O — CID 18547059

IUPAC4-[(Z)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine
SMILESCC/C(C)=C(/C(C)(C)N1CCCCC1)C(C)(C)N1CCOCC1
InChIInChI=1S/C20H38N2O/c1-7-17(2)18(19(3,4)21-11-9-8-10-12-21)20(5,6)22-13-15-23-16-14-22/h7-16H2,1-6H3/b18-17-
InChIKeyMFFHUCXINFZWQZ-ZCXUNETKSA-N
MW322.54 g/mol
LogP4.09
Rot. Bonds5

About 4-[(Z)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine

4-[(Z)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine (PubChem CID 18547059) has the molecular formula C20H38N2O and a molecular weight of 322.54 g/mol. Its IUPAC name is 4-[(Z)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[(Z)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine
PubChem CID18547059
Molecular FormulaC20H38N2O
Molecular Weight322.54 g/mol
Exact Mass322.30
IUPAC Name4-[(Z)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine
SMILESCC/C(C)=C(/C(C)(C)N1CCCCC1)C(C)(C)N1CCOCC1
InChIInChI=1S/C20H38N2O/c1-7-17(2)18(19(3,4)21-11-9-8-10-12-21)20(5,6)22-13-15-23-16-14-22/h7-16H2,1-6H3/b18-17-
InChIKeyMFFHUCXINFZWQZ-ZCXUNETKSA-N
XLogP4.09
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine?
The IUPAC name of 4-[(Z)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine (CID 18547059) is 4-[(Z)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine.
What is the SMILES notation for 4-[(Z)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine?
The canonical SMILES for 4-[(Z)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine is CC/C(C)=C(/C(C)(C)N1CCCCC1)C(C)(C)N1CCOCC1.
What is the InChIKey of 4-[(Z)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine?
The InChIKey is MFFHUCXINFZWQZ-ZCXUNETKSA-N. The full InChI is InChI=1S/C20H38N2O/c1-7-17(2)18(19(3,4)21-11-9-8-10-12-21)20(5,6)22-13-15-23-16-14-22/h7-16H2,1-6H3/b18-17-.
What are the key properties of 4-[(Z)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine?
4-[(Z)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine has a molecular weight of 322.54 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine is sourced from PubChem (CID 18547059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).