(2S)-4-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine

C20H33N3O2 — CID 95750583

IUPAC(2S)-4-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine
SMILESCc1cccc(OCCN2CCN(C[C@@H]3CN(C)CCO3)C[C@@H]2C)c1
InChIInChI=1S/C20H33N3O2/c1-17-5-4-6-19(13-17)24-12-10-23-8-7-22(14-18(23)2)16-20-15-21(3)9-11-25-20/h4-6,13,18,20H,7-12,14-16H2,1-3H3/t18-,20-/m0/s1
InChIKeyTWXGDFMSHURFGY-ICSRJNTNSA-N
MW347.50 g/mol
LogP1.71
Rot. Bonds6

About (2S)-4-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine

(2S)-4-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine (PubChem CID 95750583) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine
PubChem CID95750583
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name(2S)-4-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine
SMILESCc1cccc(OCCN2CCN(C[C@@H]3CN(C)CCO3)C[C@@H]2C)c1
InChIInChI=1S/C20H33N3O2/c1-17-5-4-6-19(13-17)24-12-10-23-8-7-22(14-18(23)2)16-20-15-21(3)9-11-25-20/h4-6,13,18,20H,7-12,14-16H2,1-3H3/t18-,20-/m0/s1
InChIKeyTWXGDFMSHURFGY-ICSRJNTNSA-N
XLogP1.71
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
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-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine
CID 124780364
2-methyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 134055131
3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 78992273
(2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine
CID 98768790
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
(2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 95348975
1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[2-(3-methylphenoxy)ethyl]piperazine
CID 56822381
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
1-methyl-4-[2-(3-methylphenoxy)ethyl]piperidine
CID 58946190
(2S)-4-ethyl-2-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine
CID 95766645
1-(cyclohexylmethyl)-4-[2-(3-methylphenoxy)ethyl]-1,4-diazepane
CID 52690010
(3S)-3-methyl-1-[2-(3-methylphenoxy)ethyl]piperazine
CID 51980514

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine?
The IUPAC name of (2S)-4-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine (CID 95750583) is (2S)-4-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine.
What is the SMILES notation for (2S)-4-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine?
The canonical SMILES for (2S)-4-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine is Cc1cccc(OCCN2CCN(C[C@@H]3CN(C)CCO3)C[C@@H]2C)c1.
What is the InChIKey of (2S)-4-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine?
The InChIKey is TWXGDFMSHURFGY-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-17-5-4-6-19(13-17)24-12-10-23-8-7-22(14-18(23)2)16-20-15-21(3)9-11-25-20/h4-6,13,18,20H,7-12,14-16H2,1-3H3/t18-,20-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine?
(2S)-4-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine has a molecular weight of 347.50 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine is sourced from PubChem (CID 95750583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).