1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine

C19H39N5O — CID 146398621

IUPAC1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine
SMILESCOCCN1CCN(C)CC1C1CN(C)CCN1C1CCN(C)CC1
InChIInChI=1S/C19H39N5O/c1-20-7-5-17(6-8-20)24-12-10-22(3)16-19(24)18-15-21(2)9-11-23(18)13-14-25-4/h17-19H,5-16H2,1-4H3
InChIKeyVCLKBALWEGMSRE-UHFFFAOYSA-N
MW353.56 g/mol
LogP-0.04
Rot. Bonds5

About 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine

1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine (PubChem CID 146398621) has the molecular formula C19H39N5O and a molecular weight of 353.56 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine
PubChem CID146398621
Molecular FormulaC19H39N5O
Molecular Weight353.56 g/mol
Exact Mass353.32
IUPAC Name1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine
SMILESCOCCN1CCN(C)CC1C1CN(C)CCN1C1CCN(C)CC1
InChIInChI=1S/C19H39N5O/c1-20-7-5-17(6-8-20)24-12-10-22(3)16-19(24)18-15-21(2)9-11-23(18)13-14-25-4/h17-19H,5-16H2,1-4H3
InChIKeyVCLKBALWEGMSRE-UHFFFAOYSA-N
XLogP-0.04
TPSA25.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.56
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(1-Methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 72011917
4-[2-methyl-1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-yl]morpholine
CID 171359040
5-Fluoro-4-(4-morpholin-4-ylpiperidin-1-yl)-1-pentylpiperidin-3-amine
CID 156302535
2-[4-Fluoro-1-(1-methylpiperidin-4-yl)piperidin-2-yl]-4-methyl-1-(3-methyloxetan-3-yl)piperazine
CID 169617596
4-[2-(9,9-Dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)ethyl]-4-methylmorpholin-4-ium
CID 59634
4-[3-(9,9-Dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)propyl]-4-methylmorpholin-4-ium
CID 59636
2-morpholin-4-yl-N,N-bis(2-morpholin-4-ylbutyl)butan-1-amine
CID 21908750
2-morpholin-4-yl-N,N-bis(2-morpholin-4-ylpropyl)propan-1-amine
CID 21908755
1-(2-Methoxyethyl)-2-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 53758386
4-[2-[2-(3,4-Diethylpiperazin-1-yl)ethoxy]ethyl]-1,2-diethylpiperazine
CID 57021475
2-Piperidin-1-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
CID 58135829
2-Morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
CID 58135865

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine (CID 146398621) is 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine is COCCN1CCN(C)CC1C1CN(C)CCN1C1CCN(C)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine?
The InChIKey is VCLKBALWEGMSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N5O/c1-20-7-5-17(6-8-20)24-12-10-22(3)16-19(24)18-15-21(2)9-11-23(18)13-14-25-4/h17-19H,5-16H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine?
1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine has a molecular weight of 353.56 g/mol, XLogP of -0.04, 5 rotatable bonds, 0 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-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine is sourced from PubChem (CID 146398621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).