(1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol

C16H25ClN2O2 — CID 95602478

IUPAC(1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol
SMILESCOCCN1CCN(C[C@H](O)c2ccccc2Cl)C[C@H]1C
InChIInChI=1S/C16H25ClN2O2/c1-13-11-18(7-8-19(13)9-10-21-2)12-16(20)14-5-3-4-6-15(14)17/h3-6,13,16,20H,7-12H2,1-2H3/t13-,16+/m1/s1
InChIKeyMMZHZFBKWFIVQB-CJNGLKHVSA-N
MW312.84 g/mol
LogP2.03
Rot. Bonds6

About (1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol

(1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol (PubChem CID 95602478) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol
PubChem CID95602478
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name(1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol
SMILESCOCCN1CCN(C[C@H](O)c2ccccc2Cl)C[C@H]1C
InChIInChI=1S/C16H25ClN2O2/c1-13-11-18(7-8-19(13)9-10-21-2)12-16(20)14-5-3-4-6-15(14)17/h3-6,13,16,20H,7-12H2,1-2H3/t13-,16+/m1/s1
InChIKeyMMZHZFBKWFIVQB-CJNGLKHVSA-N
XLogP2.03
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2,5-dichlorophenyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol
CID 100839211
(2S)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124780336
1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 71932950
(2R)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 100866973
1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol
CID 111512129
(2S)-1-[(2R)-4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124778972
(2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 95348975
(1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
CID 95978212
(1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol
CID 100836996
1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 56686977
(1S)-1-(4-chlorophenyl)-2-[(3R)-4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-methylpiperazin-1-yl]ethanol
CID 30738286
1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol
CID 62630518

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol?
The IUPAC name of (1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol (CID 95602478) is (1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol is COCCN1CCN(C[C@H](O)c2ccccc2Cl)C[C@H]1C.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol?
The InChIKey is MMZHZFBKWFIVQB-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-13-11-18(7-8-19(13)9-10-21-2)12-16(20)14-5-3-4-6-15(14)17/h3-6,13,16,20H,7-12H2,1-2H3/t13-,16+/m1/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol?
(1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol has a molecular weight of 312.84 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol is sourced from PubChem (CID 95602478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).