2-[2-[4-[(2S)-2,6-dimethylhept-5-enyl]piperazin-1-yl]ethoxy]ethanol

C17H34N2O2 — CID 7013674

IUPAC2-[2-[4-[(2S)-2,6-dimethylhept-5-enyl]piperazin-1-yl]ethoxy]ethanol
SMILESCC(C)=CCC[C@H](C)CN1CCN(CCOCCO)CC1
InChIInChI=1S/C17H34N2O2/c1-16(2)5-4-6-17(3)15-19-9-7-18(8-10-19)11-13-21-14-12-20/h5,17,20H,4,6-15H2,1-3H3/t17-/m0/s1
InChIKeyYHQTWPCGEFEOQU-KRWDZBQOSA-N
MW298.47 g/mol
LogP2.00
Rot. Bonds10

About 2-[2-[4-[(2S)-2,6-dimethylhept-5-enyl]piperazin-1-yl]ethoxy]ethanol

2-[2-[4-[(2S)-2,6-dimethylhept-5-enyl]piperazin-1-yl]ethoxy]ethanol (PubChem CID 7013674) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-[2-[4-[(2S)-2,6-dimethylhept-5-enyl]piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-[(2S)-2,6-dimethylhept-5-enyl]piperazin-1-yl]ethoxy]ethanol
PubChem CID7013674
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-[2-[4-[(2S)-2,6-dimethylhept-5-enyl]piperazin-1-yl]ethoxy]ethanol
SMILESCC(C)=CCC[C@H](C)CN1CCN(CCOCCO)CC1
InChIInChI=1S/C17H34N2O2/c1-16(2)5-4-6-17(3)15-19-9-7-18(8-10-19)11-13-21-14-12-20/h5,17,20H,4,6-15H2,1-3H3/t17-/m0/s1
InChIKeyYHQTWPCGEFEOQU-KRWDZBQOSA-N
XLogP2.00
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[(3S)-3,7-dimethyloct-6-enyl]piperazin-1-yl]ethoxy]ethanol
CID 30327049
2-[4-[(2S)-6-methylhept-5-en-2-yl]piperazin-1-yl]ethanol
CID 125482763
1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine
CID 782883
1-[(2R)-2,6-dimethylhept-5-enyl]-4-(4-fluorophenyl)piperazine
CID 756886
[(3S)-1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-3-yl]methanol
CID 51980420
1-[(2R)-2,6-dimethylhept-5-enyl]piperidine-4-carboxamide
CID 26458004
1-(2,6-dimethylhept-5-enyl)-4-(3-phenylprop-2-enyl)piperazine
CID 2845763
9-(3,7-dimethyloct-6-enoxy)nonan-1-ol
CID 175023026
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
1-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]ethanol
CID 103684371
2-[2-[4-[(2R)-2-methyl-3-phenothiazin-10-ylpropyl]piperazin-1-yl]ethoxy]ethanol;dihydrochloride
CID 10300612
2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propanethioamide
CID 63341482

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2S)-2,6-dimethylhept-5-enyl]piperazin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-[(2S)-2,6-dimethylhept-5-enyl]piperazin-1-yl]ethoxy]ethanol (CID 7013674) is 2-[2-[4-[(2S)-2,6-dimethylhept-5-enyl]piperazin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-[(2S)-2,6-dimethylhept-5-enyl]piperazin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-[(2S)-2,6-dimethylhept-5-enyl]piperazin-1-yl]ethoxy]ethanol is CC(C)=CCC[C@H](C)CN1CCN(CCOCCO)CC1.
What is the InChIKey of 2-[2-[4-[(2S)-2,6-dimethylhept-5-enyl]piperazin-1-yl]ethoxy]ethanol?
The InChIKey is YHQTWPCGEFEOQU-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-16(2)5-4-6-17(3)15-19-9-7-18(8-10-19)11-13-21-14-12-20/h5,17,20H,4,6-15H2,1-3H3/t17-/m0/s1.
What are the key properties of 2-[2-[4-[(2S)-2,6-dimethylhept-5-enyl]piperazin-1-yl]ethoxy]ethanol?
2-[2-[4-[(2S)-2,6-dimethylhept-5-enyl]piperazin-1-yl]ethoxy]ethanol has a molecular weight of 298.47 g/mol, XLogP of 2.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2S)-2,6-dimethylhept-5-enyl]piperazin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 7013674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).