ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine

C14H30N2O — CID 170952585

IUPACethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine
SMILESC=C.CC(C)CCOCCN1CCN(C)CC1
InChIInChI=1S/C12H26N2O.C2H4/c1-12(2)4-10-15-11-9-14-7-5-13(3)6-8-14;1-2/h12H,4-11H2,1-3H3;1-2H2
InChIKeyLSUNLRVMKREXQA-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.10
Rot. Bonds6

About ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine

ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine (PubChem CID 170952585) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine.

Molecular Properties

Compound Nameethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine
PubChem CID170952585
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Nameethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine
SMILESC=C.CC(C)CCOCCN1CCN(C)CC1
InChIInChI=1S/C12H26N2O.C2H4/c1-12(2)4-10-15-11-9-14-7-5-13(3)6-8-14;1-2/h12H,4-11H2,1-3H3;1-2H2
InChIKeyLSUNLRVMKREXQA-UHFFFAOYSA-N
XLogP2.10
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-[2-(3-methylbutoxy)ethyl]piperazine
CID 176984616
1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine
CID 176877129
1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine
CID 138727344
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine
CID 82891726
1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-methylpropyl)piperidine
CID 169289973
4-(bromomethyl)-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 80676918
1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine
CID 122495026
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-4-yl]methyl]propan-1-amine
CID 62591338
2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol
CID 138647980
3-methylbutyl 3-(4-methylpiperazin-1-yl)propanoate
CID 58133998
1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine
CID 135178116
3-chloro-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 63386728

Frequently Asked Questions

What is the IUPAC name of ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine?
The IUPAC name of ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine (CID 170952585) is ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine.
What is the SMILES notation for ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine?
The canonical SMILES for ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine is C=C.CC(C)CCOCCN1CCN(C)CC1.
What is the InChIKey of ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine?
The InChIKey is LSUNLRVMKREXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.C2H4/c1-12(2)4-10-15-11-9-14-7-5-13(3)6-8-14;1-2/h12H,4-11H2,1-3H3;1-2H2.
What are the key properties of ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine?
ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine has a molecular weight of 242.41 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine is sourced from PubChem (CID 170952585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).