2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol

C14H22N2O2 — CID 95169826

IUPAC2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1ccccc1CN1CCNC[C@@H]1CCO
InChIInChI=1S/C14H22N2O2/c1-18-14-5-3-2-4-12(14)11-16-8-7-15-10-13(16)6-9-17/h2-5,13,15,17H,6-11H2,1H3/t13-/m0/s1
InChIKeyBRRNQLVPFAHEDW-ZDUSSCGKSA-N
MW250.34 g/mol
LogP0.85
Rot. Bonds5

About 2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol

2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 95169826) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID95169826
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1ccccc1CN1CCNC[C@@H]1CCO
InChIInChI=1S/C14H22N2O2/c1-18-14-5-3-2-4-12(14)11-16-8-7-15-10-13(16)6-9-17/h2-5,13,15,17H,6-11H2,1H3/t13-/m0/s1
InChIKeyBRRNQLVPFAHEDW-ZDUSSCGKSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 82755826
1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine
CID 64831564
2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98586008
2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 7447550
1-[2-(2-methoxyphenyl)ethyl]-2-methylpiperazine
CID 82083206
1-(naphthalen-1-ylmethyl)-2-propylpiperazine
CID 64832736
1-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753405
2-[(2R)-4-[(2,6-dimethoxyphenyl)methyl]-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98572077
2-[(2S)-4-[(2-methoxyphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 30673763
methyl 2-[(2-ethylpiperazin-1-yl)methyl]benzoate
CID 75088546
2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 95165232
2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 95169829

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol (CID 95169826) is 2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol is COc1ccccc1CN1CCNC[C@@H]1CCO.
What is the InChIKey of 2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is BRRNQLVPFAHEDW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-18-14-5-3-2-4-12(14)11-16-8-7-15-10-13(16)6-9-17/h2-5,13,15,17H,6-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol?
2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 250.34 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 95169826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).