1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride

C21H32Cl2N2O — CID 171311328

IUPAC1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@@H](CCC(C)C)N2CCNCC2)c2ccccc12.Cl.Cl
InChIInChI=1S/C21H30N2O.2ClH/c1-16(2)8-10-20(23-14-12-22-13-15-23)18-9-11-21(24-3)19-7-5-4-6-17(18)19;;/h4-7,9,11,16,20,22H,8,10,12-15H2,1-3H3;2*1H/t20-;;/m1../s1
InChIKeyXCEMQKQOKBYQBN-FAVHNTAZSA-N
MW399.41 g/mol
LogP5.07
Rot. Bonds6

About 1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride

1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride (PubChem CID 171311328) has the molecular formula C21H32Cl2N2O and a molecular weight of 399.41 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride
PubChem CID171311328
Molecular FormulaC21H32Cl2N2O
Molecular Weight399.41 g/mol
Exact Mass398.19
IUPAC Name1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@@H](CCC(C)C)N2CCNCC2)c2ccccc12.Cl.Cl
InChIInChI=1S/C21H30N2O.2ClH/c1-16(2)8-10-20(23-14-12-22-13-15-23)18-9-11-21(24-3)19-7-5-4-6-17(18)19;;/h4-7,9,11,16,20,22H,8,10,12-15H2,1-3H3;2*1H/t20-;;/m1../s1
InChIKeyXCEMQKQOKBYQBN-FAVHNTAZSA-N
XLogP5.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.41
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride
CID 171284290
1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171296885
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311326
1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine
CID 171284273
1-[(1S)-4-methyl-1-phenanthren-9-ylpentyl]piperazine;dihydrochloride
CID 171310434
1-[(1S)-3-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine
CID 171273831
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310774
1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine
CID 171309939
1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine
CID 171310767
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine
CID 171310391
1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163017
1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine
CID 171310795

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride (CID 171311328) is 1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride is COc1ccc([C@@H](CCC(C)C)N2CCNCC2)c2ccccc12.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride?
The InChIKey is XCEMQKQOKBYQBN-FAVHNTAZSA-N. The full InChI is InChI=1S/C21H30N2O.2ClH/c1-16(2)8-10-20(23-14-12-22-13-15-23)18-9-11-21(24-3)19-7-5-4-6-17(18)19;;/h4-7,9,11,16,20,22H,8,10,12-15H2,1-3H3;2*1H/t20-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride?
1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride has a molecular weight of 399.41 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171311328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).