ethane;1-ethyl-4-(3-methoxy-2-methylpropyl)piperazine;phosphane

C15H39N2OP — CID 156721840

IUPACethane;1-ethyl-4-(3-methoxy-2-methylpropyl)piperazine;phosphane
SMILESCC.CC.CCN1CCN(CC(C)COC)CC1.P
InChIInChI=1S/C11H24N2O.2C2H6.H3P/c1-4-12-5-7-13(8-6-12)9-11(2)10-14-3;2*1-2;/h11H,4-10H2,1-3H3;2*1-2H3;1H3
InChIKeyLZEXXUQFXOXWEB-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.02
Rot. Bonds5

About ethane;1-ethyl-4-(3-methoxy-2-methylpropyl)piperazine;phosphane

ethane;1-ethyl-4-(3-methoxy-2-methylpropyl)piperazine;phosphane (PubChem CID 156721840) has the molecular formula C15H39N2OP and a molecular weight of 294.46 g/mol. Its IUPAC name is ethane;1-ethyl-4-(3-methoxy-2-methylpropyl)piperazine;phosphane.

Molecular Properties

Compound Nameethane;1-ethyl-4-(3-methoxy-2-methylpropyl)piperazine;phosphane
PubChem CID156721840
Molecular FormulaC15H39N2OP
Molecular Weight294.46 g/mol
Exact Mass294.28
IUPAC Nameethane;1-ethyl-4-(3-methoxy-2-methylpropyl)piperazine;phosphane
SMILESCC.CC.CCN1CCN(CC(C)COC)CC1.P
InChIInChI=1S/C11H24N2O.2C2H6.H3P/c1-4-12-5-7-13(8-6-12)9-11(2)10-14-3;2*1-2;/h11H,4-10H2,1-3H3;2*1-2H3;1H3
InChIKeyLZEXXUQFXOXWEB-UHFFFAOYSA-N
XLogP3.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Methoxypropyl)-4-methylpiperazine
CID 20426849
1-Ethyl-4-(3-methoxypropyl)piperazine
CID 20426852
1-(3-Ethoxypropyl)-4-methylpiperazine
CID 20426854
1-(3-Methoxypropyl)-4-propylpiperazine
CID 54119918
1-Butyl-4-(3-methoxypropyl)piperazine
CID 54206092
1,4-Bis(3-methoxypropyl)piperazine
CID 54442432
CID 57585211
CID 57585211
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;3-methoxy-N,N-dimethylpropan-1-amine
CID 69971095
3-(4-Propylpiperazin-1-yl)propyl cyanate
CID 71142898
1-Methyl-4-(oxetan-3-ylmethyl)piperazine
CID 124200347
1-Ethyl-4-(oxetan-3-ylmethyl)piperazine
CID 130627849
N-(3-methoxypropyl)-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 135181868

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-(3-methoxy-2-methylpropyl)piperazine;phosphane?
The IUPAC name of ethane;1-ethyl-4-(3-methoxy-2-methylpropyl)piperazine;phosphane (CID 156721840) is ethane;1-ethyl-4-(3-methoxy-2-methylpropyl)piperazine;phosphane.
What is the SMILES notation for ethane;1-ethyl-4-(3-methoxy-2-methylpropyl)piperazine;phosphane?
The canonical SMILES for ethane;1-ethyl-4-(3-methoxy-2-methylpropyl)piperazine;phosphane is CC.CC.CCN1CCN(CC(C)COC)CC1.P.
What is the InChIKey of ethane;1-ethyl-4-(3-methoxy-2-methylpropyl)piperazine;phosphane?
The InChIKey is LZEXXUQFXOXWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.2C2H6.H3P/c1-4-12-5-7-13(8-6-12)9-11(2)10-14-3;2*1-2;/h11H,4-10H2,1-3H3;2*1-2H3;1H3.
What are the key properties of ethane;1-ethyl-4-(3-methoxy-2-methylpropyl)piperazine;phosphane?
ethane;1-ethyl-4-(3-methoxy-2-methylpropyl)piperazine;phosphane has a molecular weight of 294.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-(3-methoxy-2-methylpropyl)piperazine;phosphane is sourced from PubChem (CID 156721840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).