ethene;1-[(2S)-1-methoxybutan-2-yl]-4-methylpiperazine

C12H26N2O — CID 145429323

IUPACethene;1-[(2S)-1-methoxybutan-2-yl]-4-methylpiperazine
SMILESC=C.CC[C@@H](COC)N1CCN(C)CC1
InChIInChI=1S/C10H22N2O.C2H4/c1-4-10(9-13-3)12-7-5-11(2)6-8-12;1-2/h10H,4-9H2,1-3H3;1-2H2/t10-;/m0./s1
InChIKeyDFYKPPHXLGSIJB-PPHPATTJSA-N
MW214.35 g/mol
LogP1.46
Rot. Bonds4

About ethene;1-[(2S)-1-methoxybutan-2-yl]-4-methylpiperazine

ethene;1-[(2S)-1-methoxybutan-2-yl]-4-methylpiperazine (PubChem CID 145429323) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is ethene;1-[(2S)-1-methoxybutan-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Nameethene;1-[(2S)-1-methoxybutan-2-yl]-4-methylpiperazine
PubChem CID145429323
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Nameethene;1-[(2S)-1-methoxybutan-2-yl]-4-methylpiperazine
SMILESC=C.CC[C@@H](COC)N1CCN(C)CC1
InChIInChI=1S/C10H22N2O.C2H4/c1-4-10(9-13-3)12-7-5-11(2)6-8-12;1-2/h10H,4-9H2,1-3H3;1-2H2/t10-;/m0./s1
InChIKeyDFYKPPHXLGSIJB-PPHPATTJSA-N
XLogP1.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;1-[(2S)-1-methoxybutan-2-yl]-4-methylpiperazine?
The IUPAC name of ethene;1-[(2S)-1-methoxybutan-2-yl]-4-methylpiperazine (CID 145429323) is ethene;1-[(2S)-1-methoxybutan-2-yl]-4-methylpiperazine.
What is the SMILES notation for ethene;1-[(2S)-1-methoxybutan-2-yl]-4-methylpiperazine?
The canonical SMILES for ethene;1-[(2S)-1-methoxybutan-2-yl]-4-methylpiperazine is C=C.CC[C@@H](COC)N1CCN(C)CC1.
What is the InChIKey of ethene;1-[(2S)-1-methoxybutan-2-yl]-4-methylpiperazine?
The InChIKey is DFYKPPHXLGSIJB-PPHPATTJSA-N. The full InChI is InChI=1S/C10H22N2O.C2H4/c1-4-10(9-13-3)12-7-5-11(2)6-8-12;1-2/h10H,4-9H2,1-3H3;1-2H2/t10-;/m0./s1.
What are the key properties of ethene;1-[(2S)-1-methoxybutan-2-yl]-4-methylpiperazine?
ethene;1-[(2S)-1-methoxybutan-2-yl]-4-methylpiperazine has a molecular weight of 214.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-[(2S)-1-methoxybutan-2-yl]-4-methylpiperazine is sourced from PubChem (CID 145429323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).