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

C15H30N2O2 — CID 2059346

IUPAC2-[2-[4-[(1R,3R)-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-/m1/s1
InChIKeyHZSLFDRTPGGPNO-HUUCEWRRSA-N
MW270.42 g/mol
LogP1.19
Rot. Bonds6

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

2-[2-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol (PubChem CID 2059346) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[2-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol
PubChem CID2059346
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[2-[4-[(1R,3R)-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-/m1/s1
InChIKeyHZSLFDRTPGGPNO-HUUCEWRRSA-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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Related Compounds

Cambridge id 5427816
CID 2059252
2-[2-[4-(4-Methylpentyl)piperazin-1-yl]ethoxy]ethanol
CID 58478743
2-[(1S,3R)-3-methylcyclohexyl]-3,4,6,7,8,10,11,11a-octahydro-1H-pyrazino[2,1-d][1,5]oxazocin-7-ol
CID 129182033
2-methoxy-1-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanol
CID 135161896
N,4-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine
CID 156348726
2-[2-[4-(4-Methylpentyl)piperazin-1-yl]ethoxy]ethanol;tungsten
CID 156729436
4-[4-[(Dimethylamino)methyl]cyclohexyl]-1-methylpiperazin-2-ol
CID 163437977
1-(4-Methylpiperidin-1-yl)-2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol
CID 176984532
2-[2-[4-(4-Methylcyclohexyl)piperazine-1,4-diium-1-yl]ethoxy]ethanol
CID 2059186
2-[2-[4-(4-Methylcyclohexyl)piperazin-1-yl]ethoxy]ethanol
CID 2059187
2-[2-[4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol
CID 2059343
2-[2-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol
CID 2059344

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol (CID 2059346) is 2-[2-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-[(1R,3R)-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-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol?
The InChIKey is HZSLFDRTPGGPNO-HUUCEWRRSA-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-/m1/s1.
What are the key properties of 2-[2-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol?
2-[2-[4-[(1R,3R)-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-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 2059346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).