4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine

C21H35N3O3 — CID 170863583

IUPAC4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
SMILESCOc1ccc(CCCN2CCN(C)CC2)cc1OCCN1CCOCC1
InChIInChI=1S/C21H35N3O3/c1-22-8-10-23(11-9-22)7-3-4-19-5-6-20(25-2)21(18-19)27-17-14-24-12-15-26-16-13-24/h5-6,18H,3-4,7-17H2,1-2H3
InChIKeyHCAVKNRNAKDLLE-UHFFFAOYSA-N
MW377.53 g/mol
LogP1.59
Rot. Bonds9

About 4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine

4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine (PubChem CID 170863583) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is 4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
PubChem CID170863583
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
SMILESCOc1ccc(CCCN2CCN(C)CC2)cc1OCCN1CCOCC1
InChIInChI=1S/C21H35N3O3/c1-22-8-10-23(11-9-22)7-3-4-19-5-6-20(25-2)21(18-19)27-17-14-24-12-15-26-16-13-24/h5-6,18H,3-4,7-17H2,1-2H3
InChIKeyHCAVKNRNAKDLLE-UHFFFAOYSA-N
XLogP1.59
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 22687397
4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
CID 170869317
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine
CID 170870699
4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride
CID 2993564
1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863506
3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
CID 170867775
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870238

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine (CID 170863583) is 4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine is COc1ccc(CCCN2CCN(C)CC2)cc1OCCN1CCOCC1.
What is the InChIKey of 4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine?
The InChIKey is HCAVKNRNAKDLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-22-8-10-23(11-9-22)7-3-4-19-5-6-20(25-2)21(18-19)27-17-14-24-12-15-26-16-13-24/h5-6,18H,3-4,7-17H2,1-2H3.
What are the key properties of 4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine?
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine has a molecular weight of 377.53 g/mol, XLogP of 1.59, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 170863583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).