2-[4-[(2S)-6-methylhept-5-en-2-yl]piperazin-1-yl]ethanol

C14H28N2O — CID 125482763

IUPAC2-[4-[(2S)-6-methylhept-5-en-2-yl]piperazin-1-yl]ethanol
SMILESCC(C)=CCC[C@H](C)N1CCN(CCO)CC1
InChIInChI=1S/C14H28N2O/c1-13(2)5-4-6-14(3)16-9-7-15(8-10-16)11-12-17/h5,14,17H,4,6-12H2,1-3H3/t14-/m0/s1
InChIKeyJQADYXRJDPMSSY-AWEZNQCLSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds6

About 2-[4-[(2S)-6-methylhept-5-en-2-yl]piperazin-1-yl]ethanol

2-[4-[(2S)-6-methylhept-5-en-2-yl]piperazin-1-yl]ethanol (PubChem CID 125482763) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[4-[(2S)-6-methylhept-5-en-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2S)-6-methylhept-5-en-2-yl]piperazin-1-yl]ethanol
PubChem CID125482763
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[4-[(2S)-6-methylhept-5-en-2-yl]piperazin-1-yl]ethanol
SMILESCC(C)=CCC[C@H](C)N1CCN(CCO)CC1
InChIInChI=1S/C14H28N2O/c1-13(2)5-4-6-14(3)16-9-7-15(8-10-16)11-12-17/h5,14,17H,4,6-12H2,1-3H3/t14-/m0/s1
InChIKeyJQADYXRJDPMSSY-AWEZNQCLSA-N
XLogP1.73
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-6-methylhept-5-en-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(2S)-6-methylhept-5-en-2-yl]piperazin-1-yl]ethanol (CID 125482763) is 2-[4-[(2S)-6-methylhept-5-en-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2S)-6-methylhept-5-en-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2S)-6-methylhept-5-en-2-yl]piperazin-1-yl]ethanol is CC(C)=CCC[C@H](C)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[(2S)-6-methylhept-5-en-2-yl]piperazin-1-yl]ethanol?
The InChIKey is JQADYXRJDPMSSY-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13(2)5-4-6-14(3)16-9-7-15(8-10-16)11-12-17/h5,14,17H,4,6-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-[4-[(2S)-6-methylhept-5-en-2-yl]piperazin-1-yl]ethanol?
2-[4-[(2S)-6-methylhept-5-en-2-yl]piperazin-1-yl]ethanol has a molecular weight of 240.39 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-6-methylhept-5-en-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 125482763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).