1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol

C21H35N3O3 — CID 72901138

IUPAC1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)COc2ccc(CN3CCOC(C)(C)C3)cc2)CC1
InChIInChI=1S/C21H35N3O3/c1-21(2)17-24(12-13-27-21)14-18-4-6-20(7-5-18)26-16-19(25)15-23-10-8-22(3)9-11-23/h4-7,19,25H,8-17H2,1-3H3
InChIKeyODLGVNPNSNTLHB-UHFFFAOYSA-N
MW377.53 g/mol
LogP1.28
Rot. Bonds7

About 1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol

1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol (PubChem CID 72901138) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
PubChem CID72901138
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)COc2ccc(CN3CCOC(C)(C)C3)cc2)CC1
InChIInChI=1S/C21H35N3O3/c1-21(2)17-24(12-13-27-21)14-18-4-6-20(7-5-18)26-16-19(25)15-23-10-8-22(3)9-11-23/h4-7,19,25H,8-17H2,1-3H3
InChIKeyODLGVNPNSNTLHB-UHFFFAOYSA-N
XLogP1.28
TPSA48.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol with MolForge

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Related Compounds

1-(2,2-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 110888534
(2S)-1-[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 97273534
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
(2R)-1-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 97284083
4-(hydroxymethyl)-1-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]piperidin-4-ol
CID 72912238
(2R)-1-(4-methylpiperazin-1-yl)-3-[4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]propan-2-ol
CID 97281126
4-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-1-methylpiperazin-2-one
CID 72889018
1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 2769804
(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482
(2R)-1-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 97268684
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 71960280
1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 18593236

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol (CID 72901138) is 1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol is CN1CCN(CC(O)COc2ccc(CN3CCOC(C)(C)C3)cc2)CC1.
What is the InChIKey of 1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is ODLGVNPNSNTLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-21(2)17-24(12-13-27-21)14-18-4-6-20(7-5-18)26-16-19(25)15-23-10-8-22(3)9-11-23/h4-7,19,25H,8-17H2,1-3H3.
What are the key properties of 1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol?
1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 377.53 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 72901138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).