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

C21H35N3O3 — CID 170870699

IUPAC4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine
SMILESCOc1cccc(CCCN2CCOCC2)c1OCCN1CCN(C)CC1
InChIInChI=1S/C21H35N3O3/c1-22-9-11-24(12-10-22)15-18-27-21-19(5-3-7-20(21)25-2)6-4-8-23-13-16-26-17-14-23/h3,5,7H,4,6,8-18H2,1-2H3
InChIKeyWYGLRFCDOUASGE-UHFFFAOYSA-N
MW377.53 g/mol
LogP1.59
Rot. Bonds9

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

4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine (PubChem CID 170870699) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is 4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine
PubChem CID170870699
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine
SMILESCOc1cccc(CCCN2CCOCC2)c1OCCN1CCN(C)CC1
InChIInChI=1S/C21H35N3O3/c1-22-9-11-24(12-10-22)15-18-27-21-19(5-3-7-20(21)25-2)6-4-8-23-13-16-26-17-14-23/h3,5,7H,4,6,8-18H2,1-2H3
InChIKeyWYGLRFCDOUASGE-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

1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine
CID 170863973
1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
CID 91276351
4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine
CID 170870431
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
4-[3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870384
4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870445
4-[3-(2-cyclopentyloxy-3-methoxyphenyl)propyl]morpholine
CID 170870157
4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870456
1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863705
4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine
CID 137342586
3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
CID 22685973
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine (CID 170870699) is 4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine is COc1cccc(CCCN2CCOCC2)c1OCCN1CCN(C)CC1.
What is the InChIKey of 4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine?
The InChIKey is WYGLRFCDOUASGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-22-9-11-24(12-10-22)15-18-27-21-19(5-3-7-20(21)25-2)6-4-8-23-13-16-26-17-14-23/h3,5,7H,4,6,8-18H2,1-2H3.
What are the key properties of 4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine?
4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]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-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine is sourced from PubChem (CID 170870699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).