(2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol

C14H22N2O2 — CID 93471023

IUPAC(2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol
SMILESCCOc1cccc([C@H](CO)N2CCNCC2)c1
InChIInChI=1S/C14H22N2O2/c1-2-18-13-5-3-4-12(10-13)14(11-17)16-8-6-15-7-9-16/h3-5,10,14-15,17H,2,6-9,11H2,1H3/t14-/m0/s1
InChIKeyQLFSGPMGCYLPKN-AWEZNQCLSA-N
MW250.34 g/mol
LogP1.02
Rot. Bonds5

About (2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol

(2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol (PubChem CID 93471023) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name(2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol
PubChem CID93471023
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol
SMILESCCOc1cccc([C@H](CO)N2CCNCC2)c1
InChIInChI=1S/C14H22N2O2/c1-2-18-13-5-3-4-12(10-13)14(11-17)16-8-6-15-7-9-16/h3-5,10,14-15,17H,2,6-9,11H2,1H3/t14-/m0/s1
InChIKeyQLFSGPMGCYLPKN-AWEZNQCLSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol
CID 61048843
1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine
CID 171277911
2-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanol
CID 61210767
1-[(1S)-1-(3-ethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171164818
1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307836
[3-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl] acetate;hydrochloride
CID 171183093
1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179653
2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol
CID 61054508
1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3289491
1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 4037248
1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine
CID 171277901
1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4320420

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol?
The IUPAC name of (2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol (CID 93471023) is (2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for (2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for (2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol is CCOc1cccc([C@H](CO)N2CCNCC2)c1.
What is the InChIKey of (2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol?
The InChIKey is QLFSGPMGCYLPKN-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-18-13-5-3-4-12(10-13)14(11-17)16-8-6-15-7-9-16/h3-5,10,14-15,17H,2,6-9,11H2,1H3/t14-/m0/s1.
What are the key properties of (2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol?
(2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol has a molecular weight of 250.34 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 93471023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).