[1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride

C22H27Cl2FN2O2 — CID 46197563

IUPAC[1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride
SMILESCl.Cl.Nc1cccc2c1C[C@@H](O)[C@H](N1CCC(C(=O)c3ccc(F)cc3)CC1)C2
InChIInChI=1S/C22H25FN2O2.2ClH/c23-17-6-4-14(5-7-17)22(27)15-8-10-25(11-9-15)20-12-16-2-1-3-19(24)18(16)13-21(20)26;;/h1-7,15,20-21,26H,8-13,24H2;2*1H/t20-,21-;;/m1../s1
InChIKeyGVCUOHJUVQMWMF-OXIQQVKJSA-N
MW441.37 g/mol
LogP3.67
Rot. Bonds3

About [1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride

[1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride (PubChem CID 46197563) has the molecular formula C22H27Cl2FN2O2 and a molecular weight of 441.37 g/mol. Its IUPAC name is [1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride.

Molecular Properties

Compound Name[1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride
PubChem CID46197563
Molecular FormulaC22H27Cl2FN2O2
Molecular Weight441.37 g/mol
Exact Mass440.14
IUPAC Name[1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride
SMILESCl.Cl.Nc1cccc2c1C[C@@H](O)[C@H](N1CCC(C(=O)c3ccc(F)cc3)CC1)C2
InChIInChI=1S/C22H25FN2O2.2ClH/c23-17-6-4-14(5-7-17)22(27)15-8-10-25(11-9-15)20-12-16-2-1-3-19(24)18(16)13-21(20)26;;/h1-7,15,20-21,26H,8-13,24H2;2*1H/t20-,21-;;/m1../s1
InChIKeyGVCUOHJUVQMWMF-OXIQQVKJSA-N
XLogP3.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.37
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride 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

[1-[(2R,3R)-8-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride
CID 46197332
(4-fluorophenyl)-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone
CID 25233587
[1-[(2R,3R)-8-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-bromophenyl)methanone;dihydrochloride
CID 46197333
(2R,3R)-8-amino-3-[4-(4-iodophenyl)piperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 10575440
(5-fluoro-3-pyridinyl)-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone
CID 58556871
(4-fluorophenyl)-[1-[(3S,4S)-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone
CID 53391536
[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 67993152
[1-(1-benzoyl-3-hydroxypiperidin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 67993225
[1-[(3S,4S)-1-(4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;oxalic acid
CID 53392069
(2-fluoro-3-pyridinyl)-[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone
CID 71819247
[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-pyridin-3-ylmethanone;oxalic acid
CID 71817330
[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 46197671

Frequently Asked Questions

What is the IUPAC name of [1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride?
The IUPAC name of [1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride (CID 46197563) is [1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride.
What is the SMILES notation for [1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride?
The canonical SMILES for [1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride is Cl.Cl.Nc1cccc2c1C[C@@H](O)[C@H](N1CCC(C(=O)c3ccc(F)cc3)CC1)C2.
What is the InChIKey of [1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride?
The InChIKey is GVCUOHJUVQMWMF-OXIQQVKJSA-N. The full InChI is InChI=1S/C22H25FN2O2.2ClH/c23-17-6-4-14(5-7-17)22(27)15-8-10-25(11-9-15)20-12-16-2-1-3-19(24)18(16)13-21(20)26;;/h1-7,15,20-21,26H,8-13,24H2;2*1H/t20-,21-;;/m1../s1.
What are the key properties of [1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride?
[1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride has a molecular weight of 441.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride is sourced from PubChem (CID 46197563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).