(1R,2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol

C20H21ClN2O — CID 102369231

IUPAC(1R,2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol
SMILESO[C@@H]1c2ccccc2C=C[C@H]1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H21ClN2O/c21-16-5-3-6-17(14-16)22-10-12-23(13-11-22)19-9-8-15-4-1-2-7-18(15)20(19)24/h1-9,14,19-20,24H,10-13H2/t19-,20-/m1/s1
InChIKeyBBDMXUWDWXTTJT-WOJBJXKFSA-N
MW340.85 g/mol
LogP3.59
Rot. Bonds2

About (1R,2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol

(1R,2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol (PubChem CID 102369231) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is (1R,2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol
PubChem CID102369231
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name(1R,2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol
SMILESO[C@@H]1c2ccccc2C=C[C@H]1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H21ClN2O/c21-16-5-3-6-17(14-16)22-10-12-23(13-11-22)19-9-8-15-4-1-2-7-18(15)20(19)24/h1-9,14,19-20,24H,10-13H2/t19-,20-/m1/s1
InChIKeyBBDMXUWDWXTTJT-WOJBJXKFSA-N
XLogP3.59
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol
CID 102041489
trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
CID 102731807
2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 17463588
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108530906
[2-(2-chlorophenyl)cyclopropyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 51292072
1-(3-chlorophenyl)azonane
CID 145391535
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
2,2,2-trichloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 4196573
[4-(3-chlorophenyl)piperazin-1-yl]-(2-nitrophenyl)methanone
CID 739922
[4-(3-chlorophenyl)piperazin-1-yl]-(2-hydroxyphenyl)methanethione
CID 926155
2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone
CID 83971734
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1R,2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol (CID 102369231) is (1R,2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1R,2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1R,2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol is O[C@@H]1c2ccccc2C=C[C@H]1N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (1R,2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol?
The InChIKey is BBDMXUWDWXTTJT-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H21ClN2O/c21-16-5-3-6-17(14-16)22-10-12-23(13-11-22)19-9-8-15-4-1-2-7-18(15)20(19)24/h1-9,14,19-20,24H,10-13H2/t19-,20-/m1/s1.
What are the key properties of (1R,2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol?
(1R,2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol has a molecular weight of 340.85 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 102369231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).