4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine

C20H33N3O2 — CID 170863421

IUPAC4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
SMILESCOc1ccc(CCCN2CCN(C)CC2)cc1CN1CCOCC1
InChIInChI=1S/C20H33N3O2/c1-21-8-10-22(11-9-21)7-3-4-18-5-6-20(24-2)19(16-18)17-23-12-14-25-15-13-23/h5-6,16H,3-4,7-15,17H2,1-2H3
InChIKeyQMZAEUKTJKSUKB-UHFFFAOYSA-N
MW347.50 g/mol
LogP1.71
Rot. Bonds7

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

4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine (PubChem CID 170863421) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
PubChem CID170863421
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
SMILESCOc1ccc(CCCN2CCN(C)CC2)cc1CN1CCOCC1
InChIInChI=1S/C20H33N3O2/c1-21-8-10-22(11-9-21)7-3-4-18-5-6-20(24-2)19(16-18)17-23-12-14-25-15-13-23/h5-6,16H,3-4,7-15,17H2,1-2H3
InChIKeyQMZAEUKTJKSUKB-UHFFFAOYSA-N
XLogP1.71
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
1-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]azepane
CID 170863657
1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine
CID 170870625
2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol
CID 170870620
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
4-[3-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]propyl]morpholine
CID 170870194
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine
CID 170863628
O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117384193
4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine
CID 170870228
4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
CID 170869317
1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863549

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine (CID 170863421) is 4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine is COc1ccc(CCCN2CCN(C)CC2)cc1CN1CCOCC1.
What is the InChIKey of 4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine?
The InChIKey is QMZAEUKTJKSUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-21-8-10-22(11-9-21)7-3-4-18-5-6-20(24-2)19(16-18)17-23-12-14-25-15-13-23/h5-6,16H,3-4,7-15,17H2,1-2H3.
What are the key properties of 4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine?
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine has a molecular weight of 347.50 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine is sourced from PubChem (CID 170863421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).