(2S)-4-ethyl-2-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine

C20H33N3O2 — CID 95766645

IUPAC(2S)-4-ethyl-2-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine
SMILESCCN1CCO[C@@H](CN2CCN(CCOc3ccc(C)cc3)CC2)C1
InChIInChI=1S/C20H33N3O2/c1-3-21-12-14-25-20(16-21)17-23-10-8-22(9-11-23)13-15-24-19-6-4-18(2)5-7-19/h4-7,20H,3,8-17H2,1-2H3/t20-/m1/s1
InChIKeyQFWVEWLVULGLNS-HXUWFJFHSA-N
MW347.50 g/mol
LogP1.71
Rot. Bonds7

About (2S)-4-ethyl-2-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine

(2S)-4-ethyl-2-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine (PubChem CID 95766645) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is (2S)-4-ethyl-2-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-4-ethyl-2-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine
PubChem CID95766645
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name(2S)-4-ethyl-2-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine
SMILESCCN1CCO[C@@H](CN2CCN(CCOc3ccc(C)cc3)CC2)C1
InChIInChI=1S/C20H33N3O2/c1-3-21-12-14-25-20(16-21)17-23-10-8-22(9-11-23)13-15-24-19-6-4-18(2)5-7-19/h4-7,20H,3,8-17H2,1-2H3/t20-/m1/s1
InChIKeyQFWVEWLVULGLNS-HXUWFJFHSA-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

Analyze (2S)-4-ethyl-2-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine with MolForge

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Related Compounds

methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]ethanamine
CID 79165951
1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine
CID 170591311
[4-[2-(2-ethylmorpholin-4-yl)ethoxy]phenyl]methanamine
CID 43562361
4-[3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]benzonitrile
CID 95286132
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110638166
1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine
CID 50956772
N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine
CID 118464703
3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine
CID 176701641
1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine
CID 1300408
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690

Frequently Asked Questions

What is the IUPAC name of (2S)-4-ethyl-2-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine?
The IUPAC name of (2S)-4-ethyl-2-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine (CID 95766645) is (2S)-4-ethyl-2-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine.
What is the SMILES notation for (2S)-4-ethyl-2-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine?
The canonical SMILES for (2S)-4-ethyl-2-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine is CCN1CCO[C@@H](CN2CCN(CCOc3ccc(C)cc3)CC2)C1.
What is the InChIKey of (2S)-4-ethyl-2-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine?
The InChIKey is QFWVEWLVULGLNS-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-3-21-12-14-25-20(16-21)17-23-10-8-22(9-11-23)13-15-24-19-6-4-18(2)5-7-19/h4-7,20H,3,8-17H2,1-2H3/t20-/m1/s1.
What are the key properties of (2S)-4-ethyl-2-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine?
(2S)-4-ethyl-2-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]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 (2S)-4-ethyl-2-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine is sourced from PubChem (CID 95766645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).