1-ethyl-4-[(4S)-4-methoxy-8,8-dimethylnonyl]piperazine

C18H38N2O — CID 118887652

IUPAC1-ethyl-4-[(4S)-4-methoxy-8,8-dimethylnonyl]piperazine
SMILESCCN1CCN(CCC[C@H](CCCC(C)(C)C)OC)CC1
InChIInChI=1S/C18H38N2O/c1-6-19-13-15-20(16-14-19)12-8-10-17(21-5)9-7-11-18(2,3)4/h17H,6-16H2,1-5H3/t17-/m0/s1
InChIKeySGOSXODOIHTXET-KRWDZBQOSA-N
MW298.51 g/mol
LogP3.64
Rot. Bonds9

About 1-ethyl-4-[(4S)-4-methoxy-8,8-dimethylnonyl]piperazine

1-ethyl-4-[(4S)-4-methoxy-8,8-dimethylnonyl]piperazine (PubChem CID 118887652) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-ethyl-4-[(4S)-4-methoxy-8,8-dimethylnonyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(4S)-4-methoxy-8,8-dimethylnonyl]piperazine
PubChem CID118887652
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name1-ethyl-4-[(4S)-4-methoxy-8,8-dimethylnonyl]piperazine
SMILESCCN1CCN(CCC[C@H](CCCC(C)(C)C)OC)CC1
InChIInChI=1S/C18H38N2O/c1-6-19-13-15-20(16-14-19)12-8-10-17(21-5)9-7-11-18(2,3)4/h17H,6-16H2,1-5H3/t17-/m0/s1
InChIKeySGOSXODOIHTXET-KRWDZBQOSA-N
XLogP3.64
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine
CID 118887650
1-[(5R)-5-methoxy-9,9-dimethyldecyl]-4-methylpiperazine
CID 118887718
1-[(6R)-6-methoxy-10,10-dimethylundecyl]piperazine
CID 118887793
1-ethyl-4-[(4S)-4-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine
CID 118887695
(4S)-4-methoxy-8,8-dimethylnonan-1-ol
CID 118887633
(6R)-6-methoxy-2,2,12-trimethyltridecane
CID 118887775
(3S)-3-(2,2-dimethylpropyl)-8-(4-ethylpiperazin-1-yl)octan-1-ol
CID 118887619
1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine
CID 171447106
1-ethyl-4-(3-ethyl-3-methylpentyl)piperazine
CID 134441401
4-(4-ethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine
CID 65249831
4-(5-methoxyoctyl)morpholine
CID 144712043
(5S)-1-(4-ethylpiperazin-1-yl)nonan-5-ol
CID 118889926

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4S)-4-methoxy-8,8-dimethylnonyl]piperazine?
The IUPAC name of 1-ethyl-4-[(4S)-4-methoxy-8,8-dimethylnonyl]piperazine (CID 118887652) is 1-ethyl-4-[(4S)-4-methoxy-8,8-dimethylnonyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(4S)-4-methoxy-8,8-dimethylnonyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(4S)-4-methoxy-8,8-dimethylnonyl]piperazine is CCN1CCN(CCC[C@H](CCCC(C)(C)C)OC)CC1.
What is the InChIKey of 1-ethyl-4-[(4S)-4-methoxy-8,8-dimethylnonyl]piperazine?
The InChIKey is SGOSXODOIHTXET-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H38N2O/c1-6-19-13-15-20(16-14-19)12-8-10-17(21-5)9-7-11-18(2,3)4/h17H,6-16H2,1-5H3/t17-/m0/s1.
What are the key properties of 1-ethyl-4-[(4S)-4-methoxy-8,8-dimethylnonyl]piperazine?
1-ethyl-4-[(4S)-4-methoxy-8,8-dimethylnonyl]piperazine has a molecular weight of 298.51 g/mol, XLogP of 3.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4S)-4-methoxy-8,8-dimethylnonyl]piperazine is sourced from PubChem (CID 118887652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).