2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol

C20H34N2O — CID 29208638

IUPAC2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESCC(C)CCN1CCN(CCCc2ccccc2)C[C@@H]1CCO
InChIInChI=1S/C20H34N2O/c1-18(2)10-13-22-15-14-21(17-20(22)11-16-23)12-6-9-19-7-4-3-5-8-19/h3-5,7-8,18,20,23H,6,9-17H2,1-2H3/t20-/m0/s1
InChIKeySMXRFBSCDJHLAW-FQEVSTJZSA-N
MW318.50 g/mol
LogP3.03
Rot. Bonds9

About 2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol

2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol (PubChem CID 29208638) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is 2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol
PubChem CID29208638
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC Name2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESCC(C)CCN1CCN(CCCc2ccccc2)C[C@@H]1CCO
InChIInChI=1S/C20H34N2O/c1-18(2)10-13-22-15-14-21(17-20(22)11-16-23)12-6-9-19-7-4-3-5-8-19/h3-5,7-8,18,20,23H,6,9-17H2,1-2H3/t20-/m0/s1
InChIKeySMXRFBSCDJHLAW-FQEVSTJZSA-N
XLogP3.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-1-(3-methylbutyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
CID 51627138
2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 23724002
2-[(2R)-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 51906736
2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98575530
2-[4-[(5-methylfuran-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45193506
2-[4-[(4-ethynylphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 23723883
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45192797
1-[3-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-1-yl]methyl]phenyl]ethanone
CID 29029320
2-[4-[(2,4-difluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 56707189
2-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-5-methoxyphenol
CID 23723691
2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45172721
2-[1-(3-phenylpropyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45211000

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol (CID 29208638) is 2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol is CC(C)CCN1CCN(CCCc2ccccc2)C[C@@H]1CCO.
What is the InChIKey of 2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol?
The InChIKey is SMXRFBSCDJHLAW-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H34N2O/c1-18(2)10-13-22-15-14-21(17-20(22)11-16-23)12-6-9-19-7-4-3-5-8-19/h3-5,7-8,18,20,23H,6,9-17H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol?
2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol has a molecular weight of 318.50 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 29208638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).