5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol

C19H30N2O3 — CID 29154220

IUPAC5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)cc1O
InChIInChI=1S/C19H30N2O3/c1-24-19-7-6-15(12-18(19)23)13-20-9-10-21(16-4-2-3-5-16)17(14-20)8-11-22/h6-7,12,16-17,22-23H,2-5,8-11,13-14H2,1H3/t17-/m0/s1
InChIKeyLFAOWCVIVNHESI-KRWDZBQOSA-N
MW334.46 g/mol
LogP2.21
Rot. Bonds6

About 5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol

5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol (PubChem CID 29154220) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol
PubChem CID29154220
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)cc1O
InChIInChI=1S/C19H30N2O3/c1-24-19-7-6-15(12-18(19)23)13-20-9-10-21(16-4-2-3-5-16)17(14-20)8-11-22/h6-7,12,16-17,22-23H,2-5,8-11,13-14H2,1H3/t17-/m0/s1
InChIKeyLFAOWCVIVNHESI-KRWDZBQOSA-N
XLogP2.21
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol with MolForge

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Related Compounds

5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol
CID 45171109
2-[(2R)-1-cyclopentyl-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51908762
2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45224960
2-[(2S)-1-cyclohexyl-4-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperazin-2-yl]ethanol
CID 28768383
2-[4-[(3,4-dimethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45243864
2-[(2R)-1-cyclopentyl-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51909267
2-[(2S)-1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 30727850
2-[1-cyclopentyl-4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-2-yl]ethanol
CID 45180147
2-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol
CID 45237963
2-[(2S)-4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 28685472
2-[(2S)-1-cyclopentyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-2-yl]ethanol
CID 30854343
2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 45235277

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol (CID 29154220) is 5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol is COc1ccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)cc1O.
What is the InChIKey of 5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol?
The InChIKey is LFAOWCVIVNHESI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-24-19-7-6-15(12-18(19)23)13-20-9-10-21(16-4-2-3-5-16)17(14-20)8-11-22/h6-7,12,16-17,22-23H,2-5,8-11,13-14H2,1H3/t17-/m0/s1.
What are the key properties of 5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol?
5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol has a molecular weight of 334.46 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol is sourced from PubChem (CID 29154220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).