2-[[(3R)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol

C21H34N2O3 — CID 51907434

IUPAC2-[[(3R)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)c1O
InChIInChI=1S/C21H34N2O3/c1-2-26-20-10-6-7-17(21(20)25)15-22-12-13-23(19(16-22)11-14-24)18-8-4-3-5-9-18/h6-7,10,18-19,24-25H,2-5,8-9,11-16H2,1H3/t19-/m1/s1
InChIKeyHWSNVCUOLGTTPD-LJQANCHMSA-N
MW362.51 g/mol
LogP2.99
Rot. Bonds7

About 2-[[(3R)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol

2-[[(3R)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol (PubChem CID 51907434) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 2-[[(3R)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[[(3R)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol
PubChem CID51907434
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name2-[[(3R)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)c1O
InChIInChI=1S/C21H34N2O3/c1-2-26-20-10-6-7-17(21(20)25)15-22-12-13-23(19(16-22)11-14-24)18-8-4-3-5-9-18/h6-7,10,18-19,24-25H,2-5,8-9,11-16H2,1H3/t19-/m1/s1
InChIKeyHWSNVCUOLGTTPD-LJQANCHMSA-N
XLogP2.99
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol
CID 45241251
2-[(2R)-1-cyclopentyl-4-[(3-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 51901392
2-[(2R)-1-cyclopentyl-4-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51902901
2-ethoxy-6-[[3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenol
CID 45232523
2-[(2S)-1-cyclopentyl-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol
CID 29215594
2-[1-cyclopentyl-4-[[2-(difluoromethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 45240114
2-ethoxy-6-[[3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 45228799
2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol
CID 28955815
2-[(2R)-1-cyclopentyl-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51909267
2-[1-cyclopentyl-4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-2-yl]ethanol
CID 45180147
2-[(2S)-1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 30727850
2-[[(3R)-3-(2-hydroxyethyl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]phenol
CID 98575671

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol?
The IUPAC name of 2-[[(3R)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol (CID 51907434) is 2-[[(3R)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[[(3R)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol?
The canonical SMILES for 2-[[(3R)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol is CCOc1cccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)c1O.
What is the InChIKey of 2-[[(3R)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol?
The InChIKey is HWSNVCUOLGTTPD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-2-26-20-10-6-7-17(21(20)25)15-22-12-13-23(19(16-22)11-14-24)18-8-4-3-5-9-18/h6-7,10,18-19,24-25H,2-5,8-9,11-16H2,1H3/t19-/m1/s1.
What are the key properties of 2-[[(3R)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol?
2-[[(3R)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol has a molecular weight of 362.51 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol is sourced from PubChem (CID 51907434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).