(1R,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol;hydrochloride

C26H30Cl2N2O2 — CID 90668409

IUPAC(1R,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol;hydrochloride
SMILESCOc1ccc(CN2CCN([C@H](c3ccccc3Cl)[C@H](O)c3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C26H29ClN2O2.ClH/c1-31-22-13-11-20(12-14-22)19-28-15-17-29(18-16-28)25(23-9-5-6-10-24(23)27)26(30)21-7-3-2-4-8-21;/h2-14,25-26,30H,15-19H2,1H3;1H/t25-,26-;/m1./s1
InChIKeyBHLQRMKQXNRFKO-JUJAXGASSA-N
MW473.44 g/mol
LogP5.36
Rot. Bonds7

About (1R,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol;hydrochloride

(1R,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol;hydrochloride (PubChem CID 90668409) has the molecular formula C26H30Cl2N2O2 and a molecular weight of 473.44 g/mol. Its IUPAC name is (1R,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name(1R,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol;hydrochloride
PubChem CID90668409
Molecular FormulaC26H30Cl2N2O2
Molecular Weight473.44 g/mol
Exact Mass472.17
IUPAC Name(1R,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol;hydrochloride
SMILESCOc1ccc(CN2CCN([C@H](c3ccccc3Cl)[C@H](O)c3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C26H29ClN2O2.ClH/c1-31-22-13-11-20(12-14-22)19-28-15-17-29(18-16-28)25(23-9-5-6-10-24(23)27)26(30)21-7-3-2-4-8-21;/h2-14,25-26,30H,15-19H2,1H3;1H/t25-,26-;/m1./s1
InChIKeyBHLQRMKQXNRFKO-JUJAXGASSA-N
XLogP5.36
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.44
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol;hydrochloride with MolForge

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Related Compounds

(1S,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol
CID 12505375
2-(2-chlorophenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol
CID 12505446
1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride
CID 90668406
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanone
CID 12505294
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
1-(4-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 12505299
1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
CID 2867463
1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine
CID 21472218
4-[[4-[bis(2-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol
CID 19881633
(2S)-N-(ethylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylacetamide
CID 9130513
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 3102574

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol;hydrochloride?
The IUPAC name of (1R,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol;hydrochloride (CID 90668409) is (1R,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol;hydrochloride.
What is the SMILES notation for (1R,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol;hydrochloride?
The canonical SMILES for (1R,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol;hydrochloride is COc1ccc(CN2CCN([C@H](c3ccccc3Cl)[C@H](O)c3ccccc3)CC2)cc1.Cl.
What is the InChIKey of (1R,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol;hydrochloride?
The InChIKey is BHLQRMKQXNRFKO-JUJAXGASSA-N. The full InChI is InChI=1S/C26H29ClN2O2.ClH/c1-31-22-13-11-20(12-14-22)19-28-15-17-29(18-16-28)25(23-9-5-6-10-24(23)27)26(30)21-7-3-2-4-8-21;/h2-14,25-26,30H,15-19H2,1H3;1H/t25-,26-;/m1./s1.
What are the key properties of (1R,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol;hydrochloride?
(1R,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol;hydrochloride has a molecular weight of 473.44 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol;hydrochloride is sourced from PubChem (CID 90668409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).