1-[4-methoxy-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]butan-2-yl]-4-methylpiperazine

C18H37N5O — CID 167009766

IUPAC1-[4-methoxy-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]butan-2-yl]-4-methylpiperazine
SMILESCOCCC(CN1CCN(C2CN(C)C2)CC1)N1CCN(C)CC1
InChIInChI=1S/C18H37N5O/c1-19-5-9-22(10-6-19)17(4-13-24-3)16-21-7-11-23(12-8-21)18-14-20(2)15-18/h17-18H,4-16H2,1-3H3
InChIKeyNKEPXKLHIJVVQF-UHFFFAOYSA-N
MW339.53 g/mol
LogP-0.43
Rot. Bonds7

About 1-[4-methoxy-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]butan-2-yl]-4-methylpiperazine

1-[4-methoxy-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]butan-2-yl]-4-methylpiperazine (PubChem CID 167009766) has the molecular formula C18H37N5O and a molecular weight of 339.53 g/mol. Its IUPAC name is 1-[4-methoxy-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]butan-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-methoxy-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]butan-2-yl]-4-methylpiperazine
PubChem CID167009766
Molecular FormulaC18H37N5O
Molecular Weight339.53 g/mol
Exact Mass339.30
IUPAC Name1-[4-methoxy-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]butan-2-yl]-4-methylpiperazine
SMILESCOCCC(CN1CCN(C2CN(C)C2)CC1)N1CCN(C)CC1
InChIInChI=1S/C18H37N5O/c1-19-5-9-22(10-6-19)17(4-13-24-3)16-21-7-11-23(12-8-21)18-14-20(2)15-18/h17-18H,4-16H2,1-3H3
InChIKeyNKEPXKLHIJVVQF-UHFFFAOYSA-N
XLogP-0.43
TPSA25.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-methoxy-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]butan-2-yl]-4-methylpiperazine with MolForge

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Related Compounds

4-methoxy-1-(4-methylpiperazin-1-yl)butan-2-ol
CID 117236714
1-cyclopropyl-4-(2-methoxyethyl)piperazine
CID 153207861
2-[1-methoxy-2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 134582821
1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine
CID 130429186
1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine
CID 162764220
ethane;1-(2-methoxyethyl)-4-methylpiperazine;methylcyclopropane
CID 144800701
ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine
CID 142407871
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475228
ethane;[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanamine
CID 142368379
1-(3-ethylcyclobutyl)-4-(2-methoxyethyl)piperazine
CID 170953103
(2S)-4-methoxy-2-(4-methylpiperazin-1-yl)butanamide
CID 129298588
[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol
CID 163434092

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]butan-2-yl]-4-methylpiperazine?
The IUPAC name of 1-[4-methoxy-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]butan-2-yl]-4-methylpiperazine (CID 167009766) is 1-[4-methoxy-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]butan-2-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-methoxy-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]butan-2-yl]-4-methylpiperazine?
The canonical SMILES for 1-[4-methoxy-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]butan-2-yl]-4-methylpiperazine is COCCC(CN1CCN(C2CN(C)C2)CC1)N1CCN(C)CC1.
What is the InChIKey of 1-[4-methoxy-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]butan-2-yl]-4-methylpiperazine?
The InChIKey is NKEPXKLHIJVVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5O/c1-19-5-9-22(10-6-19)17(4-13-24-3)16-21-7-11-23(12-8-21)18-14-20(2)15-18/h17-18H,4-16H2,1-3H3.
What are the key properties of 1-[4-methoxy-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]butan-2-yl]-4-methylpiperazine?
1-[4-methoxy-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]butan-2-yl]-4-methylpiperazine has a molecular weight of 339.53 g/mol, XLogP of -0.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]butan-2-yl]-4-methylpiperazine is sourced from PubChem (CID 167009766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).