1-ethyl-4-[(4S)-4-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine

C18H38N2O — CID 118887695

IUPAC1-ethyl-4-[(4S)-4-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine
SMILESCCN1CCN(CCC[C@H](CCOC)CC(C)(C)C)CC1
InChIInChI=1S/C18H38N2O/c1-6-19-11-13-20(14-12-19)10-7-8-17(9-15-21-5)16-18(2,3)4/h17H,6-16H2,1-5H3/t17-/m1/s1
InChIKeyGXFTWBDSGJZQJU-QGZVFWFLSA-N
MW298.51 g/mol
LogP3.49
Rot. Bonds9

About 1-ethyl-4-[(4S)-4-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine

1-ethyl-4-[(4S)-4-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine (PubChem CID 118887695) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-ethyl-4-[(4S)-4-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(4S)-4-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine
PubChem CID118887695
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name1-ethyl-4-[(4S)-4-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine
SMILESCCN1CCN(CCC[C@H](CCOC)CC(C)(C)C)CC1
InChIInChI=1S/C18H38N2O/c1-6-19-11-13-20(14-12-19)10-7-8-17(9-15-21-5)16-18(2,3)4/h17H,6-16H2,1-5H3/t17-/m1/s1
InChIKeyGXFTWBDSGJZQJU-QGZVFWFLSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(2,2-dimethylpropyl)-8-(4-ethylpiperazin-1-yl)octan-1-ol
CID 118887619
1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine
CID 118890200
1-ethyl-4-[(4S)-4-methoxy-8,8-dimethylnonyl]piperazine
CID 118887652
1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine
CID 171447106
(3S)-3-(2,2-dimethylpropyl)-8-(4-methylpiperazin-1-yl)octan-1-ol
CID 118887623
methyl (6S)-6-(2-methoxyethyl)-8,8-dimethylnonanoate
CID 118887825
4-[(4S)-6-methoxy-4-methylhexyl]morpholine
CID 174809436
1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine
CID 118890154
2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol
CID 100986630
1-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine
CID 118887650
ethane;4-ethylmorpholine;1-methoxy-4-methylpentane
CID 163401074
4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine
CID 118887662

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4S)-4-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine?
The IUPAC name of 1-ethyl-4-[(4S)-4-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine (CID 118887695) is 1-ethyl-4-[(4S)-4-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(4S)-4-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(4S)-4-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine is CCN1CCN(CCC[C@H](CCOC)CC(C)(C)C)CC1.
What is the InChIKey of 1-ethyl-4-[(4S)-4-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine?
The InChIKey is GXFTWBDSGJZQJU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H38N2O/c1-6-19-11-13-20(14-12-19)10-7-8-17(9-15-21-5)16-18(2,3)4/h17H,6-16H2,1-5H3/t17-/m1/s1.
What are the key properties of 1-ethyl-4-[(4S)-4-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine?
1-ethyl-4-[(4S)-4-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine has a molecular weight of 298.51 g/mol, XLogP of 3.49, 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-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine is sourced from PubChem (CID 118887695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).