4-[3,5-dimethyl-4-[(E)-2-piperidin-4-ylethenyl]phenyl]morpholine

C19H28N2O — CID 11722361

IUPAC4-[3,5-dimethyl-4-[(E)-2-piperidin-4-ylethenyl]phenyl]morpholine
SMILESCc1cc(N2CCOCC2)cc(C)c1/C=C/C1CCNCC1
InChIInChI=1S/C19H28N2O/c1-15-13-18(21-9-11-22-12-10-21)14-16(2)19(15)4-3-17-5-7-20-8-6-17/h3-4,13-14,17,20H,5-12H2,1-2H3/b4-3+
InChIKeyROHBFFMHAUVBGN-ONEGZZNKSA-N
MW300.45 g/mol
LogP3.15
Rot. Bonds3

About 4-[3,5-dimethyl-4-[(E)-2-piperidin-4-ylethenyl]phenyl]morpholine

4-[3,5-dimethyl-4-[(E)-2-piperidin-4-ylethenyl]phenyl]morpholine (PubChem CID 11722361) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 4-[3,5-dimethyl-4-[(E)-2-piperidin-4-ylethenyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3,5-dimethyl-4-[(E)-2-piperidin-4-ylethenyl]phenyl]morpholine
PubChem CID11722361
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name4-[3,5-dimethyl-4-[(E)-2-piperidin-4-ylethenyl]phenyl]morpholine
SMILESCc1cc(N2CCOCC2)cc(C)c1/C=C/C1CCNCC1
InChIInChI=1S/C19H28N2O/c1-15-13-18(21-9-11-22-12-10-21)14-16(2)19(15)4-3-17-5-7-20-8-6-17/h3-4,13-14,17,20H,5-12H2,1-2H3/b4-3+
InChIKeyROHBFFMHAUVBGN-ONEGZZNKSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethyl-4-[(E)-2-piperidin-4-ylethenyl]phenyl]morpholine?
The IUPAC name of 4-[3,5-dimethyl-4-[(E)-2-piperidin-4-ylethenyl]phenyl]morpholine (CID 11722361) is 4-[3,5-dimethyl-4-[(E)-2-piperidin-4-ylethenyl]phenyl]morpholine.
What is the SMILES notation for 4-[3,5-dimethyl-4-[(E)-2-piperidin-4-ylethenyl]phenyl]morpholine?
The canonical SMILES for 4-[3,5-dimethyl-4-[(E)-2-piperidin-4-ylethenyl]phenyl]morpholine is Cc1cc(N2CCOCC2)cc(C)c1/C=C/C1CCNCC1.
What is the InChIKey of 4-[3,5-dimethyl-4-[(E)-2-piperidin-4-ylethenyl]phenyl]morpholine?
The InChIKey is ROHBFFMHAUVBGN-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15-13-18(21-9-11-22-12-10-21)14-16(2)19(15)4-3-17-5-7-20-8-6-17/h3-4,13-14,17,20H,5-12H2,1-2H3/b4-3+.
What are the key properties of 4-[3,5-dimethyl-4-[(E)-2-piperidin-4-ylethenyl]phenyl]morpholine?
4-[3,5-dimethyl-4-[(E)-2-piperidin-4-ylethenyl]phenyl]morpholine has a molecular weight of 300.45 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dimethyl-4-[(E)-2-piperidin-4-ylethenyl]phenyl]morpholine is sourced from PubChem (CID 11722361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).