(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

Hexocyclium
CID 24199
4-Morpholineethanol, alpha-phenyl-
CID 20491
Eprozinol
CID 122553
2-(4-Methyl-piperazin-1-yl)-1-phenyl-ethanol
CID 223284
3-Morpholin-4-yl-1-phenylpropan-1-ol
CID 3152333
Benzenemethanol, 4-cyclopentyl-alpha-((diethylamino)methyl)-, hydrochloride
CID 3070069
4-Morpholineethanol, alpha,alpha-diphenyl-
CID 202717
1-Morpholin-4-yl-2,3-diphenyloctan-3-ol
CID 24747998
3-Methyl-2-morpholino-1,1-diphenylbutan-1-ol
CID 46885515
(R)2-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-yl]-1-phenyl-ethanol
CID 11101788
(S)-2-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-yl]-1-phenyl-ethanol
CID 11144197
(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-ol
CID 13322460

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).