2-[2-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol

C15H30N2O2 — CID 2059348

IUPAC2-[2-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol
SMILESC[C@H]1CCC[C@H](N2CCN(CCOCCO)CC2)C1
InChIInChI=1S/C15H30N2O2/c1-14-3-2-4-15(13-14)17-7-5-16(6-8-17)9-11-19-12-10-18/h14-15,18H,2-13H2,1H3/t14-,15-/m0/s1
InChIKeyHZSLFDRTPGGPNO-GJZGRUSLSA-N
MW270.42 g/mol
LogP1.19
Rot. Bonds6

About 2-[2-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol

2-[2-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol (PubChem CID 2059348) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[2-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol
PubChem CID2059348
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[2-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol
SMILESC[C@H]1CCC[C@H](N2CCN(CCOCCO)CC2)C1
InChIInChI=1S/C15H30N2O2/c1-14-3-2-4-15(13-14)17-7-5-16(6-8-17)9-11-19-12-10-18/h14-15,18H,2-13H2,1H3/t14-,15-/m0/s1
InChIKeyHZSLFDRTPGGPNO-GJZGRUSLSA-N
XLogP1.19
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol (CID 2059348) is 2-[2-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol is C[C@H]1CCC[C@H](N2CCN(CCOCCO)CC2)C1.
What is the InChIKey of 2-[2-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol?
The InChIKey is HZSLFDRTPGGPNO-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-14-3-2-4-15(13-14)17-7-5-16(6-8-17)9-11-19-12-10-18/h14-15,18H,2-13H2,1H3/t14-,15-/m0/s1.
What are the key properties of 2-[2-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol?
2-[2-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol has a molecular weight of 270.42 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 2059348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).