(1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol

C20H34N2O2 — CID 95978212

IUPAC(1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
SMILESCCOCCN1CCN(C[C@H](O)c2ccc(C(C)C)cc2)C[C@@H]1C
InChIInChI=1S/C20H34N2O2/c1-5-24-13-12-22-11-10-21(14-17(22)4)15-20(23)19-8-6-18(7-9-19)16(2)3/h6-9,16-17,20,23H,5,10-15H2,1-4H3/t17-,20-/m0/s1
InChIKeyULDMMZMJYPDHNN-PXNSSMCTSA-N
MW334.50 g/mol
LogP2.89
Rot. Bonds8

About (1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol

(1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 95978212) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is (1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
PubChem CID95978212
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name(1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
SMILESCCOCCN1CCN(C[C@H](O)c2ccc(C(C)C)cc2)C[C@@H]1C
InChIInChI=1S/C20H34N2O2/c1-5-24-13-12-22-11-10-21(14-17(22)4)15-20(23)19-8-6-18(7-9-19)16(2)3/h6-9,16-17,20,23H,5,10-15H2,1-4H3/t17-,20-/m0/s1
InChIKeyULDMMZMJYPDHNN-PXNSSMCTSA-N
XLogP2.89
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(4-chlorophenyl)-2-[(3R)-4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-methylpiperazin-1-yl]ethanol
CID 30738286
(2S)-1-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 100842222
2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol
CID 63634863
(2R)-4-(cyclopentylmethyl)-1-(2-ethoxyethyl)-2-methylpiperazine
CID 124778699
(1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol
CID 95602478
2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 112698266
2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 54944272
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 63620086
(1S)-1-(2,5-dichlorophenyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol
CID 100839211
2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol
CID 63635565
(2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine
CID 124737287
2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 60970237

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of (1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol (CID 95978212) is (1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for (1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for (1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol is CCOCCN1CCN(C[C@H](O)c2ccc(C(C)C)cc2)C[C@@H]1C.
What is the InChIKey of (1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is ULDMMZMJYPDHNN-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-5-24-13-12-22-11-10-21(14-17(22)4)15-20(23)19-8-6-18(7-9-19)16(2)3/h6-9,16-17,20,23H,5,10-15H2,1-4H3/t17-,20-/m0/s1.
What are the key properties of (1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol?
(1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 334.50 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 95978212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).