ethane;1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine

C16H36N2O — CID 155740768

IUPACethane;1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine
SMILESCC.CCN1CCN(CCOCCCC(C)C)CC1
InChIInChI=1S/C14H30N2O.C2H6/c1-4-15-7-9-16(10-8-15)11-13-17-12-5-6-14(2)3;1-2/h14H,4-13H2,1-3H3;1-2H3
InChIKeyBCRFTJOIRBQLKX-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.10
Rot. Bonds8

About ethane;1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine

ethane;1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine (PubChem CID 155740768) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is ethane;1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine.

Molecular Properties

Compound Nameethane;1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine
PubChem CID155740768
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Nameethane;1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine
SMILESCC.CCN1CCN(CCOCCCC(C)C)CC1
InChIInChI=1S/C14H30N2O.C2H6/c1-4-15-7-9-16(10-8-15)11-13-17-12-5-6-14(2)3;1-2/h14H,4-13H2,1-3H3;1-2H3
InChIKeyBCRFTJOIRBQLKX-UHFFFAOYSA-N
XLogP3.10
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(2R)-2-fluoro-4-methylpentoxy]ethyl]-4-methylpiperazine
CID 166537116
1-[2-[(2R)-2-fluoro-4-methylpentoxy]ethyl]-4-propan-2-ylpiperazine
CID 168085315
4-butylmorpholine;N,N-diethyl-4-methylpentan-1-amine
CID 91248869
1-[2-(2-Methylpentoxy)ethyl]piperazine
CID 103283868
N,4-dimethyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 123964426
1-Methyl-4-[2-(4-methyloctan-4-yloxy)ethyl]piperazine
CID 129254249
1-[2-(3-Methylbutoxy)ethyl]-4-propan-2-ylpiperazine
CID 132134284
1-(5-Methoxypentyl)-4-[2-(4-methylpentoxy)ethyl]piperazine
CID 134579256
1-Tert-butyl-4-[2-(4,4-dimethylpentoxy)ethyl]piperazine
CID 135167805
1-[2-(2,3-Dimethylbutoxy)ethyl]-4-propan-2-ylpiperazine
CID 138461095
1-[2-[2-[2-(3-Methylbutoxy)ethoxy]ethoxy]ethyl]-4-(4-methylpentyl)piperazine
CID 138501050
1-[2-(5,5-Dimethylhexoxy)ethyl]-4-(2-methoxyethyl)piperazine
CID 138647076

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine?
The IUPAC name of ethane;1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine (CID 155740768) is ethane;1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine.
What is the SMILES notation for ethane;1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine?
The canonical SMILES for ethane;1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine is CC.CCN1CCN(CCOCCCC(C)C)CC1.
What is the InChIKey of ethane;1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine?
The InChIKey is BCRFTJOIRBQLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O.C2H6/c1-4-15-7-9-16(10-8-15)11-13-17-12-5-6-14(2)3;1-2/h14H,4-13H2,1-3H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine?
ethane;1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine has a molecular weight of 272.48 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine is sourced from PubChem (CID 155740768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).