(1S,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol

C21H24N2O2 — CID 102041489

IUPAC(1S,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol
SMILESCOc1ccc(N2CCN([C@H]3C=Cc4ccccc4[C@@H]3O)CC2)cc1
InChIInChI=1S/C21H24N2O2/c1-25-18-9-7-17(8-10-18)22-12-14-23(15-13-22)20-11-6-16-4-2-3-5-19(16)21(20)24/h2-11,20-21,24H,12-15H2,1H3/t20-,21-/m0/s1
InChIKeyDAZZVOXSISNMPS-SFTDATJTSA-N
MW336.44 g/mol
LogP2.95
Rot. Bonds3

About (1S,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol

(1S,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol (PubChem CID 102041489) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (1S,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol
PubChem CID102041489
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(1S,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol
SMILESCOc1ccc(N2CCN([C@H]3C=Cc4ccccc4[C@@H]3O)CC2)cc1
InChIInChI=1S/C21H24N2O2/c1-25-18-9-7-17(8-10-18)22-12-14-23(15-13-22)20-11-6-16-4-2-3-5-19(16)21(20)24/h2-11,20-21,24H,12-15H2,1H3/t20-,21-/m0/s1
InChIKeyDAZZVOXSISNMPS-SFTDATJTSA-N
XLogP2.95
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze (1S,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol
CID 102369231
1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,4-tetramethylcyclobutan-1-ol
CID 54404990
1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 139945708
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
[(3S,4S)-3-hydroxy-4-(4-phenyl-1,4-diazepan-1-yl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 45235456
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51291775
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108986682
4-[4-(4-methoxyphenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol
CID 4798798
(2-chlorophenyl)-[(3R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42094356
(1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol
CID 15402081
1-(4-methoxyphenyl)piperidine
CID 10130315
2-(3,4-dihydro-1H-isochromen-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 23288770

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1S,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol (CID 102041489) is (1S,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1S,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1S,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol is COc1ccc(N2CCN([C@H]3C=Cc4ccccc4[C@@H]3O)CC2)cc1.
What is the InChIKey of (1S,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol?
The InChIKey is DAZZVOXSISNMPS-SFTDATJTSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-25-18-9-7-17(8-10-18)22-12-14-23(15-13-22)20-11-6-16-4-2-3-5-19(16)21(20)24/h2-11,20-21,24H,12-15H2,1H3/t20-,21-/m0/s1.
What are the key properties of (1S,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol?
(1S,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol has a molecular weight of 336.44 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 102041489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).