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

C17H24Cl2N2O — CID 171296885

IUPAC1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@@H](C)N2CCNCC2)c2ccccc12.Cl.Cl
InChIInChI=1S/C17H22N2O.2ClH/c1-13(19-11-9-18-10-12-19)14-7-8-17(20-2)16-6-4-3-5-15(14)16;;/h3-8,13,18H,9-12H2,1-2H3;2*1H/t13-;;/m1../s1
InChIKeyZMOCBSYYFNBLJX-FFXKMJQXSA-N
MW343.30 g/mol
LogP3.66
Rot. Bonds3

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

1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride (PubChem CID 171296885) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
PubChem CID171296885
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC Name1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@@H](C)N2CCNCC2)c2ccccc12.Cl.Cl
InChIInChI=1S/C17H22N2O.2ClH/c1-13(19-11-9-18-10-12-19)14-7-8-17(20-2)16-6-4-3-5-15(14)16;;/h3-8,13,18H,9-12H2,1-2H3;2*1H/t13-;;/m1../s1
InChIKeyZMOCBSYYFNBLJX-FFXKMJQXSA-N
XLogP3.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311328
1-[(1S)-1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropyl]piperazine
CID 171284295
1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride
CID 171284290
1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine
CID 171284275
1-[(1S)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine
CID 171177719
1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane
CID 3722689
4-[(1R)-1-piperazin-1-ylethyl]naphthalen-1-ol
CID 171292379
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296852
1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine
CID 171284273
1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine
CID 171282087
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride (CID 171296885) is 1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride is COc1ccc([C@@H](C)N2CCNCC2)c2ccccc12.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride?
The InChIKey is ZMOCBSYYFNBLJX-FFXKMJQXSA-N. The full InChI is InChI=1S/C17H22N2O.2ClH/c1-13(19-11-9-18-10-12-19)14-7-8-17(20-2)16-6-4-3-5-15(14)16;;/h3-8,13,18H,9-12H2,1-2H3;2*1H/t13-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride?
1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride has a molecular weight of 343.30 g/mol, XLogP of 3.66, 3 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)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171296885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).