1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride

C19H28Cl2N2O — CID 171284290

IUPAC1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride
SMILESCCC[C@@H](c1ccc(OC)c2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H26N2O.2ClH/c1-3-6-18(21-13-11-20-12-14-21)16-9-10-19(22-2)17-8-5-4-7-15(16)17;;/h4-5,7-10,18,20H,3,6,11-14H2,1-2H3;2*1H/t18-;;/m0../s1
InChIKeyKFPPMQNPHZYVHY-NTEVMMBTSA-N
MW371.35 g/mol
LogP4.44
Rot. Bonds5

About 1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride

1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride (PubChem CID 171284290) has the molecular formula C19H28Cl2N2O and a molecular weight of 371.35 g/mol. Its IUPAC name is 1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride
PubChem CID171284290
Molecular FormulaC19H28Cl2N2O
Molecular Weight371.35 g/mol
Exact Mass370.16
IUPAC Name1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride
SMILESCCC[C@@H](c1ccc(OC)c2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H26N2O.2ClH/c1-3-6-18(21-13-11-20-12-14-21)16-9-10-19(22-2)17-8-5-4-7-15(16)17;;/h4-5,7-10,18,20H,3,6,11-14H2,1-2H3;2*1H/t18-;;/m0../s1
InChIKeyKFPPMQNPHZYVHY-NTEVMMBTSA-N
XLogP4.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 54.44
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-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171286917
1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine
CID 171284273
1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171296885
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171287847
1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentyl]piperazine
CID 171308877
1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine
CID 171164843
1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163017
1-[(1S)-1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropyl]piperazine
CID 171284295
4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride
CID 171308012
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171295603
1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine
CID 171284275

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride (CID 171284290) is 1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride is CCC[C@@H](c1ccc(OC)c2ccccc12)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride?
The InChIKey is KFPPMQNPHZYVHY-NTEVMMBTSA-N. The full InChI is InChI=1S/C19H26N2O.2ClH/c1-3-6-18(21-13-11-20-12-14-21)16-9-10-19(22-2)17-8-5-4-7-15(16)17;;/h4-5,7-10,18,20H,3,6,11-14H2,1-2H3;2*1H/t18-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride?
1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride has a molecular weight of 371.35 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride is sourced from PubChem (CID 171284290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).