2-[(2S)-4-(2,2-dimethylpropyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol

C20H34N2O2 — CID 29026656

IUPAC2-[(2S)-4-(2,2-dimethylpropyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCCOc1ccc(CN2CCN(CC(C)(C)C)C[C@@H]2CCO)cc1
InChIInChI=1S/C20H34N2O2/c1-5-24-19-8-6-17(7-9-19)14-22-12-11-21(16-20(2,3)4)15-18(22)10-13-23/h6-9,18,23H,5,10-16H2,1-4H3/t18-/m0/s1
InChIKeyUOFRSORMUOCZPZ-SFHVURJKSA-N
MW334.50 g/mol
LogP3.00
Rot. Bonds7

About 2-[(2S)-4-(2,2-dimethylpropyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol

2-[(2S)-4-(2,2-dimethylpropyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 29026656) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 2-[(2S)-4-(2,2-dimethylpropyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-(2,2-dimethylpropyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID29026656
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name2-[(2S)-4-(2,2-dimethylpropyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCCOc1ccc(CN2CCN(CC(C)(C)C)C[C@@H]2CCO)cc1
InChIInChI=1S/C20H34N2O2/c1-5-24-19-8-6-17(7-9-19)14-22-12-11-21(16-20(2,3)4)15-18(22)10-13-23/h6-9,18,23H,5,10-16H2,1-4H3/t18-/m0/s1
InChIKeyUOFRSORMUOCZPZ-SFHVURJKSA-N
XLogP3.00
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,2-dimethylpropyl)-4-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45211012
2-[[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 30733237
3-[[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 29152620
2-[(2R)-1-[(4-ethoxyphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-2-yl]ethanol
CID 98587052
2-[(2S)-4-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 29151767
2-[(2R)-4-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 51902403
2-[(2R)-1-[(4-ethoxyphenyl)methyl]-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-2-yl]ethanol
CID 93233449
2-[(2R)-1-[(4-ethoxyphenyl)methyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 51723874
2-[(2S)-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 28730365
2-[(2R)-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 98566789
2-[4-(1,4-dithiepan-6-yl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45233527
2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-ethylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol
CID 29021709

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(2,2-dimethylpropyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-(2,2-dimethylpropyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol (CID 29026656) is 2-[(2S)-4-(2,2-dimethylpropyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-(2,2-dimethylpropyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-(2,2-dimethylpropyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol is CCOc1ccc(CN2CCN(CC(C)(C)C)C[C@@H]2CCO)cc1.
What is the InChIKey of 2-[(2S)-4-(2,2-dimethylpropyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is UOFRSORMUOCZPZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-5-24-19-8-6-17(7-9-19)14-22-12-11-21(16-20(2,3)4)15-18(22)10-13-23/h6-9,18,23H,5,10-16H2,1-4H3/t18-/m0/s1.
What are the key properties of 2-[(2S)-4-(2,2-dimethylpropyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol?
2-[(2S)-4-(2,2-dimethylpropyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 334.50 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(2,2-dimethylpropyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 29026656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).