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

C13H24N4O — CID 71932947

IUPAC1-(2-methoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine
SMILESCOCCN1CCN(Cc2cnn(C)c2)CC1C
InChIInChI=1S/C13H24N4O/c1-12-9-16(4-5-17(12)6-7-18-3)11-13-8-14-15(2)10-13/h8,10,12H,4-7,9,11H2,1-3H3
InChIKeyHRXZNJLSDRJSBY-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.57
Rot. Bonds5

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

1-(2-methoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine (PubChem CID 71932947) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine
PubChem CID71932947
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-(2-methoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine
SMILESCOCCN1CCN(Cc2cnn(C)c2)CC1C
InChIInChI=1S/C13H24N4O/c1-12-9-16(4-5-17(12)6-7-18-3)11-13-8-14-15(2)10-13/h8,10,12H,4-7,9,11H2,1-3H3
InChIKeyHRXZNJLSDRJSBY-UHFFFAOYSA-N
XLogP0.57
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 95332281
(7R,8aS)-7-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97386228
2-[[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 95333025
(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 103885638
4-[[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 95348101
4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 95332203
2-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3-benzoxazole
CID 95351742
(2R)-1-(2-methoxyethyl)-4-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperazine
CID 95350389
1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol
CID 63282120
2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 56802281
N-[4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95333136
[4-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 114959813

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(2-methoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine (CID 71932947) is 1-(2-methoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine is COCCN1CCN(Cc2cnn(C)c2)CC1C.
What is the InChIKey of 1-(2-methoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine?
The InChIKey is HRXZNJLSDRJSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-12-9-16(4-5-17(12)6-7-18-3)11-13-8-14-15(2)10-13/h8,10,12H,4-7,9,11H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine?
1-(2-methoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine has a molecular weight of 252.36 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 71932947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).