1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine

C17H34N4 — CID 176935979

IUPAC1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine
SMILESCC(C)N1CCN(CC2CC(N3CCN(C)CC3)C2)CC1
InChIInChI=1S/C17H34N4/c1-15(2)20-10-6-19(7-11-20)14-16-12-17(13-16)21-8-4-18(3)5-9-21/h15-17H,4-14H2,1-3H3
InChIKeyCGSFOCVORGEFFS-UHFFFAOYSA-N
MW294.49 g/mol
LogP1.04
Rot. Bonds4

About 1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine

1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine (PubChem CID 176935979) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine
PubChem CID176935979
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine
SMILESCC(C)N1CCN(CC2CC(N3CCN(C)CC3)C2)CC1
InChIInChI=1S/C17H34N4/c1-15(2)20-10-6-19(7-11-20)14-16-12-17(13-16)21-8-4-18(3)5-9-21/h15-17H,4-14H2,1-3H3
InChIKeyCGSFOCVORGEFFS-UHFFFAOYSA-N
XLogP1.04
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-6-azabicyclo[3.1.1]heptane
CID 166461762
1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047
1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
1-propan-2-yl-4-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]azepane
CID 177124057
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
1-methyl-4-[1-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperidin-4-yl]piperazine
CID 129212775
1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine
CID 134414100
1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155184379
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170953915

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine?
The IUPAC name of 1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine (CID 176935979) is 1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine is CC(C)N1CCN(CC2CC(N3CCN(C)CC3)C2)CC1.
What is the InChIKey of 1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine?
The InChIKey is CGSFOCVORGEFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-15(2)20-10-6-19(7-11-20)14-16-12-17(13-16)21-8-4-18(3)5-9-21/h15-17H,4-14H2,1-3H3.
What are the key properties of 1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine?
1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine has a molecular weight of 294.49 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine is sourced from PubChem (CID 176935979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).