1-methyl-4-(propan-2-yloxymethyl)piperazine

C9H20N2O — CID 45099577

IUPAC1-methyl-4-(propan-2-yloxymethyl)piperazine
SMILESCC(C)OCN1CCN(C)CC1
InChIInChI=1S/C9H20N2O/c1-9(2)12-8-11-6-4-10(3)5-7-11/h9H,4-8H2,1-3H3
InChIKeyPKLWKQYVBXPUEQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.62
Rot. Bonds3

About 1-methyl-4-(propan-2-yloxymethyl)piperazine

1-methyl-4-(propan-2-yloxymethyl)piperazine (PubChem CID 45099577) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-methyl-4-(propan-2-yloxymethyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(propan-2-yloxymethyl)piperazine
PubChem CID45099577
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-methyl-4-(propan-2-yloxymethyl)piperazine
SMILESCC(C)OCN1CCN(C)CC1
InChIInChI=1S/C9H20N2O/c1-9(2)12-8-11-6-4-10(3)5-7-11/h9H,4-8H2,1-3H3
InChIKeyPKLWKQYVBXPUEQ-UHFFFAOYSA-N
XLogP0.62
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine
CID 135178116
2-[(4-methylpiperazin-1-yl)methoxy]-2-piperidin-1-ylethanol
CID 90742652
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol
CID 53369436
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 106009782
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine
CID 167867117
1-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]piperazine
CID 146180819
2-[(4-methylpiperazin-1-yl)methoxy]ethanamine
CID 174243324
2-ethoxy-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 63070793
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
CID 59102100
CID 59102100

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(propan-2-yloxymethyl)piperazine?
The IUPAC name of 1-methyl-4-(propan-2-yloxymethyl)piperazine (CID 45099577) is 1-methyl-4-(propan-2-yloxymethyl)piperazine.
What is the SMILES notation for 1-methyl-4-(propan-2-yloxymethyl)piperazine?
The canonical SMILES for 1-methyl-4-(propan-2-yloxymethyl)piperazine is CC(C)OCN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(propan-2-yloxymethyl)piperazine?
The InChIKey is PKLWKQYVBXPUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2)12-8-11-6-4-10(3)5-7-11/h9H,4-8H2,1-3H3.
What are the key properties of 1-methyl-4-(propan-2-yloxymethyl)piperazine?
1-methyl-4-(propan-2-yloxymethyl)piperazine has a molecular weight of 172.27 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(propan-2-yloxymethyl)piperazine is sourced from PubChem (CID 45099577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).