1-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;dihydrochloride

C24H34Cl2N2O — CID 70078757

IUPAC1-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;dihydrochloride
SMILESCOc1ccc(N2CCN(CC(C)C3CCCc4ccccc43)CC2)cc1.Cl.Cl
InChIInChI=1S/C24H32N2O.2ClH/c1-19(23-9-5-7-20-6-3-4-8-24(20)23)18-25-14-16-26(17-15-25)21-10-12-22(27-2)13-11-21;;/h3-4,6,8,10-13,19,23H,5,7,9,14-18H2,1-2H3;2*1H
InChIKeySDCZZWYUFKEIMO-UHFFFAOYSA-N
MW437.46 g/mol
LogP5.42
Rot. Bonds5

About 1-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;dihydrochloride

1-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;dihydrochloride (PubChem CID 70078757) has the molecular formula C24H34Cl2N2O and a molecular weight of 437.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;dihydrochloride
PubChem CID70078757
Molecular FormulaC24H34Cl2N2O
Molecular Weight437.46 g/mol
Exact Mass436.20
IUPAC Name1-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;dihydrochloride
SMILESCOc1ccc(N2CCN(CC(C)C3CCCc4ccccc43)CC2)cc1.Cl.Cl
InChIInChI=1S/C24H32N2O.2ClH/c1-19(23-9-5-7-20-6-3-4-8-24(20)23)18-25-14-16-26(17-15-25)21-10-12-22(27-2)13-11-21;;/h3-4,6,8,10-13,19,23H,5,7,9,14-18H2,1-2H3;2*1H
InChIKeySDCZZWYUFKEIMO-UHFFFAOYSA-N
XLogP5.42
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.46
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;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-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 139945708
1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 63913419
(2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 2106519
1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247593
1-[4-[4-[(2R)-2-hydroxy-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperazin-1-yl]phenyl]ethanone
CID 7775106
cyclopropyl-[(1S)-1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 95101735
cyclopropyl-[1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 53167598
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 8669631
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol
CID 64792176
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine
CID 92967649

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;dihydrochloride?
The IUPAC name of 1-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;dihydrochloride (CID 70078757) is 1-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;dihydrochloride is COc1ccc(N2CCN(CC(C)C3CCCc4ccccc43)CC2)cc1.Cl.Cl.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;dihydrochloride?
The InChIKey is SDCZZWYUFKEIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O.2ClH/c1-19(23-9-5-7-20-6-3-4-8-24(20)23)18-25-14-16-26(17-15-25)21-10-12-22(27-2)13-11-21;;/h3-4,6,8,10-13,19,23H,5,7,9,14-18H2,1-2H3;2*1H.
What are the key properties of 1-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;dihydrochloride?
1-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;dihydrochloride has a molecular weight of 437.46 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;dihydrochloride is sourced from PubChem (CID 70078757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).