1-[3-(2-hexan-3-yloxyethoxy)propyl]-4-methylpiperazine

C16H34N2O2 — CID 139481708

IUPAC1-[3-(2-hexan-3-yloxyethoxy)propyl]-4-methylpiperazine
SMILESCCCC(CC)OCCOCCCN1CCN(C)CC1
InChIInChI=1S/C16H34N2O2/c1-4-7-16(5-2)20-15-14-19-13-6-8-18-11-9-17(3)10-12-18/h16H,4-15H2,1-3H3
InChIKeyQDCCDXQTDWDCEQ-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.24
Rot. Bonds11

About 1-[3-(2-hexan-3-yloxyethoxy)propyl]-4-methylpiperazine

1-[3-(2-hexan-3-yloxyethoxy)propyl]-4-methylpiperazine (PubChem CID 139481708) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[3-(2-hexan-3-yloxyethoxy)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(2-hexan-3-yloxyethoxy)propyl]-4-methylpiperazine
PubChem CID139481708
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name1-[3-(2-hexan-3-yloxyethoxy)propyl]-4-methylpiperazine
SMILESCCCC(CC)OCCOCCCN1CCN(C)CC1
InChIInChI=1S/C16H34N2O2/c1-4-7-16(5-2)20-15-14-19-13-6-8-18-11-9-17(3)10-12-18/h16H,4-15H2,1-3H3
InChIKeyQDCCDXQTDWDCEQ-UHFFFAOYSA-N
XLogP2.24
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.24
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

2-[3-(4-methylpiperazin-1-yl)propoxy]pentan-1-amine
CID 57057662
1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine
CID 135178116
1-[6-pentoxy-4-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]hexyl]pyrrolidine
CID 118339849
1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
4-[2-(4-methylpiperazin-1-yl)ethoxy]butan-1-olate
CID 142385933
1,3,5-tris[3-(3-ethylhexoxy)propyl]-1,3,5-triazinane
CID 22661655
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-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine
CID 170952585
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-[2-(3-methoxypropoxy)ethyl]-4-methylpiperazine;1-(3-methoxypropyl)-4-methylpiperazine;1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine;1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine
CID 158627962
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine
CID 82944415
1-(4-octoxyhexoxy)nonane
CID 173430678

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hexan-3-yloxyethoxy)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(2-hexan-3-yloxyethoxy)propyl]-4-methylpiperazine (CID 139481708) is 1-[3-(2-hexan-3-yloxyethoxy)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(2-hexan-3-yloxyethoxy)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(2-hexan-3-yloxyethoxy)propyl]-4-methylpiperazine is CCCC(CC)OCCOCCCN1CCN(C)CC1.
What is the InChIKey of 1-[3-(2-hexan-3-yloxyethoxy)propyl]-4-methylpiperazine?
The InChIKey is QDCCDXQTDWDCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-4-7-16(5-2)20-15-14-19-13-6-8-18-11-9-17(3)10-12-18/h16H,4-15H2,1-3H3.
What are the key properties of 1-[3-(2-hexan-3-yloxyethoxy)propyl]-4-methylpiperazine?
1-[3-(2-hexan-3-yloxyethoxy)propyl]-4-methylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 2.24, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hexan-3-yloxyethoxy)propyl]-4-methylpiperazine is sourced from PubChem (CID 139481708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).