4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine

C20H23NO3 — CID 170870679

IUPAC4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine
SMILESc1cc(-c2ccc3c(c2)OCO3)ccc1CCCN1CCOCC1
InChIInChI=1S/C20H23NO3/c1(9-21-10-12-22-13-11-21)2-16-3-5-17(6-4-16)18-7-8-19-20(14-18)24-15-23-19/h3-8,14H,1-2,9-13,15H2
InChIKeyKNFXBUFDYHRRRZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.35
Rot. Bonds5

About 4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine

4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine (PubChem CID 170870679) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine
PubChem CID170870679
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine
SMILESc1cc(-c2ccc3c(c2)OCO3)ccc1CCCN1CCOCC1
InChIInChI=1S/C20H23NO3/c1(9-21-10-12-22-13-11-21)2-16-3-5-17(6-4-16)18-7-8-19-20(14-18)24-15-23-19/h3-8,14H,1-2,9-13,15H2
InChIKeyKNFXBUFDYHRRRZ-UHFFFAOYSA-N
XLogP3.35
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine
CID 170864258
N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 4719981
N-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide
CID 42725267
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-(4-iodophenyl)propyl]morpholine
CID 143873101
4-[3-[3-(4-methylphenyl)phenyl]propyl]morpholine
CID 170869539
4-(4-morpholin-4-ylbutyl)phenol
CID 82188001
N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine
CID 121230567
1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine
CID 69440754
1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine
CID 137450994
1-[3-[4-(1,3-benzodioxol-5-yl)phenoxy]propyl]piperidine
CID 56657939
1-[4-(1,3-benzodioxol-5-yl)butyl]-4-(4-chlorophenyl)piperazine
CID 69443078

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine (CID 170870679) is 4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine is c1cc(-c2ccc3c(c2)OCO3)ccc1CCCN1CCOCC1.
What is the InChIKey of 4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine?
The InChIKey is KNFXBUFDYHRRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1(9-21-10-12-22-13-11-21)2-16-3-5-17(6-4-16)18-7-8-19-20(14-18)24-15-23-19/h3-8,14H,1-2,9-13,15H2.
What are the key properties of 4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine?
4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine has a molecular weight of 325.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine is sourced from PubChem (CID 170870679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).