ethane;1-(4-methoxy-2,2,4-trimethylpentyl)-4-methylpiperazine

C18H42N2O — CID 142409459

IUPACethane;1-(4-methoxy-2,2,4-trimethylpentyl)-4-methylpiperazine
SMILESCC.CC.COC(C)(C)CC(C)(C)CN1CCN(C)CC1
InChIInChI=1S/C14H30N2O.2C2H6/c1-13(2,11-14(3,4)17-6)12-16-9-7-15(5)8-10-16;2*1-2/h7-12H2,1-6H3;2*1-2H3
InChIKeyKMZGTEMIMRIBCS-UHFFFAOYSA-N
MW302.55 g/mol
LogP4.13
Rot. Bonds5

About ethane;1-(4-methoxy-2,2,4-trimethylpentyl)-4-methylpiperazine

ethane;1-(4-methoxy-2,2,4-trimethylpentyl)-4-methylpiperazine (PubChem CID 142409459) has the molecular formula C18H42N2O and a molecular weight of 302.55 g/mol. Its IUPAC name is ethane;1-(4-methoxy-2,2,4-trimethylpentyl)-4-methylpiperazine.

Molecular Properties

Compound Nameethane;1-(4-methoxy-2,2,4-trimethylpentyl)-4-methylpiperazine
PubChem CID142409459
Molecular FormulaC18H42N2O
Molecular Weight302.55 g/mol
Exact Mass302.33
IUPAC Nameethane;1-(4-methoxy-2,2,4-trimethylpentyl)-4-methylpiperazine
SMILESCC.CC.COC(C)(C)CC(C)(C)CN1CCN(C)CC1
InChIInChI=1S/C14H30N2O.2C2H6/c1-13(2,11-14(3,4)17-6)12-16-9-7-15(5)8-10-16;2*1-2/h7-12H2,1-6H3;2*1-2H3
InChIKeyKMZGTEMIMRIBCS-UHFFFAOYSA-N
XLogP4.13
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.55
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(3,3-Dimethylbutyl)piperazin-1-yl]-2-methylpentan-2-ol
CID 89747561
5-[4-(4,4-Dimethylpentyl)piperazin-1-yl]-2-methylpentan-2-ol
CID 89747576
5-[4-(5,5-Dimethylhexyl)piperazin-1-yl]-2-methylpentan-2-ol
CID 89747587
1-(3,3-Dimethylbutyl)-4-(3-methoxy-3-methylbutyl)piperazine
CID 89747720
1-(3,3-Dimethylbutyl)-4-(4-methoxy-4-methylpentyl)piperazine
CID 89747721
1-(4,4-Dimethylpentyl)-4-(2-methoxy-2-methylpropyl)piperazine
CID 89747736
1-(4,4-Dimethylpentyl)-4-(3-methoxy-3-methylbutyl)piperazine
CID 89747738
1-(4,4-Dimethylpentyl)-4-(4-methoxy-4-methylpentyl)piperazine
CID 89747740
1-(5,5-Dimethylhexyl)-4-(2-methoxy-2-methylpropyl)piperazine
CID 89747844
1-(5,5-Dimethylhexyl)-4-(3-methoxy-3-methylbutyl)piperazine
CID 89747845
1-(5,5-Dimethylhexyl)-4-(4-methoxy-4-methylpentyl)piperazine
CID 89747847
1-(3,3-Dimethylbutyl)-4-(4-methoxy-3,3-dimethylbutyl)piperazine
CID 89747875

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methoxy-2,2,4-trimethylpentyl)-4-methylpiperazine?
The IUPAC name of ethane;1-(4-methoxy-2,2,4-trimethylpentyl)-4-methylpiperazine (CID 142409459) is ethane;1-(4-methoxy-2,2,4-trimethylpentyl)-4-methylpiperazine.
What is the SMILES notation for ethane;1-(4-methoxy-2,2,4-trimethylpentyl)-4-methylpiperazine?
The canonical SMILES for ethane;1-(4-methoxy-2,2,4-trimethylpentyl)-4-methylpiperazine is CC.CC.COC(C)(C)CC(C)(C)CN1CCN(C)CC1.
What is the InChIKey of ethane;1-(4-methoxy-2,2,4-trimethylpentyl)-4-methylpiperazine?
The InChIKey is KMZGTEMIMRIBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O.2C2H6/c1-13(2,11-14(3,4)17-6)12-16-9-7-15(5)8-10-16;2*1-2/h7-12H2,1-6H3;2*1-2H3.
What are the key properties of ethane;1-(4-methoxy-2,2,4-trimethylpentyl)-4-methylpiperazine?
ethane;1-(4-methoxy-2,2,4-trimethylpentyl)-4-methylpiperazine has a molecular weight of 302.55 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methoxy-2,2,4-trimethylpentyl)-4-methylpiperazine is sourced from PubChem (CID 142409459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).