1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine

C14H30N2O2 — CID 135178116

IUPAC1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine
SMILESCC(C)OCCCOCCCN1CCN(C)CC1
InChIInChI=1S/C14H30N2O2/c1-14(2)18-13-5-12-17-11-4-6-16-9-7-15(3)8-10-16/h14H,4-13H2,1-3H3
InChIKeyZZBQIFLMCSQDGT-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.46
Rot. Bonds9

About 1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine

1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine (PubChem CID 135178116) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine
PubChem CID135178116
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine
SMILESCC(C)OCCCOCCCN1CCN(C)CC1
InChIInChI=1S/C14H30N2O2/c1-14(2)18-13-5-12-17-11-4-6-16-9-7-15(3)8-10-16/h14H,4-13H2,1-3H3
InChIKeyZZBQIFLMCSQDGT-UHFFFAOYSA-N
XLogP1.46
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine
CID 167867117
1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine
CID 153398953
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 106009782
4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine
CID 166128107
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855
potassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone
CID 167519739
1-[3-(2-hexan-3-yloxyethoxy)propyl]-4-methylpiperazine
CID 139481708
4-[2-(4-methylpiperazin-1-yl)ethoxy]butan-1-olate
CID 142385933
1,4-bis(2-methoxyethoxy)butane;1,4-bis(2-methoxyethyl)piperazine;1,4-dimethylpiperazine;1-(4-methoxybutyl)-4-methylpiperazine;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;1-[3-(2-methoxyethoxy)propyl]-4-methylpiperazine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(6-methoxyhexyl)-4-methylpiperazine);1-methoxy-5-(4-methoxybutoxy)pentane;1-methoxy-4-[2-(2-methoxyethoxy)ethoxy]butane;1-methoxy-7-(2-methoxyethoxy)heptane;1-methoxy-6-(3-methoxypropoxy)hexane;1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperazine;1-(3-methoxypropyl)-4-methylpiperazine;1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 158374038
1-methyl-4-(propan-2-yloxymethyl)piperazine
CID 45099577
ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine
CID 170952585
4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine
CID 54958213

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine (CID 135178116) is 1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine is CC(C)OCCCOCCCN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine?
The InChIKey is ZZBQIFLMCSQDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-14(2)18-13-5-12-17-11-4-6-16-9-7-15(3)8-10-16/h14H,4-13H2,1-3H3.
What are the key properties of 1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine?
1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine has a molecular weight of 258.41 g/mol, XLogP of 1.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine is sourced from PubChem (CID 135178116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).