1-(2-methoxyethyl)-4-methyl-2-[4-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperazin-2-yl]piperazine

C19H37N5O — CID 90736699

IUPAC1-(2-methoxyethyl)-4-methyl-2-[4-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperazin-2-yl]piperazine
SMILESCOCCN1CCN(C)CC1C1CN(C)C(C2CNCC=C2C)CN1
InChIInChI=1S/C19H37N5O/c1-15-5-6-20-11-16(15)18-12-21-17(13-23(18)3)19-14-22(2)7-8-24(19)9-10-25-4/h5,16-21H,6-14H2,1-4H3
InChIKeyRIUDIRDBZUGQAZ-UHFFFAOYSA-N
MW351.54 g/mol
LogP-0.31
Rot. Bonds5

About 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperazin-2-yl]piperazine

1-(2-methoxyethyl)-4-methyl-2-[4-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperazin-2-yl]piperazine (PubChem CID 90736699) has the molecular formula C19H37N5O and a molecular weight of 351.54 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperazin-2-yl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-methyl-2-[4-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperazin-2-yl]piperazine
PubChem CID90736699
Molecular FormulaC19H37N5O
Molecular Weight351.54 g/mol
Exact Mass351.30
IUPAC Name1-(2-methoxyethyl)-4-methyl-2-[4-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperazin-2-yl]piperazine
SMILESCOCCN1CCN(C)CC1C1CN(C)C(C2CNCC=C2C)CN1
InChIInChI=1S/C19H37N5O/c1-15-5-6-20-11-16(15)18-12-21-17(13-23(18)3)19-14-22(2)7-8-24(19)9-10-25-4/h5,16-21H,6-14H2,1-4H3
InChIKeyRIUDIRDBZUGQAZ-UHFFFAOYSA-N
XLogP-0.31
TPSA43.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine
CID 70025724
4-[(E)-2-methyl-3-(2-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine
CID 70025727
4-[2-Methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine
CID 70025730
4-[2-Methyl-3-(2-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine
CID 70025732
N'-[1-(5-chlorocyclohexa-1,5-dien-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 123467097
N'-[1-cyclohexa-1,5-dien-1-yl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 123774978
(Z)-4-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)hex-4-en-1-amine
CID 134419180
1-(2-Methoxyethyl)-4-methyl-2-[4-methyl-6-(4-methyl-1,2,3,6-tetrahydropyridin-2-yl)piperazin-2-yl]piperazine
CID 144022532
ethane;(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine
CID 145472451
4-Ethylidene-1-methylpiperidine;1-(2-methanidyloxyethyl)-4-methylpiperazine;1-methylpiperidin-4-amine
CID 158752826
1,4-Dimethylpiperazine;1-(2-ethoxyethyl)-4-methylpiperazine;4-ethylidenepiperidine;methane
CID 159014195
Ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 165059902

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperazin-2-yl]piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperazin-2-yl]piperazine (CID 90736699) is 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperazin-2-yl]piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperazin-2-yl]piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperazin-2-yl]piperazine is COCCN1CCN(C)CC1C1CN(C)C(C2CNCC=C2C)CN1.
What is the InChIKey of 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperazin-2-yl]piperazine?
The InChIKey is RIUDIRDBZUGQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O/c1-15-5-6-20-11-16(15)18-12-21-17(13-23(18)3)19-14-22(2)7-8-24(19)9-10-25-4/h5,16-21H,6-14H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperazin-2-yl]piperazine?
1-(2-methoxyethyl)-4-methyl-2-[4-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperazin-2-yl]piperazine has a molecular weight of 351.54 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperazin-2-yl]piperazine is sourced from PubChem (CID 90736699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).