1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride

C17H22Cl2N2 — CID 171294037

IUPAC1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride
SMILESC=C[C@H](c1cccc2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H20N2.2ClH/c1-2-17(19-12-10-18-11-13-19)16-9-5-7-14-6-3-4-8-15(14)16;;/h2-9,17-18H,1,10-13H2;2*1H/t17-;;/m1../s1
InChIKeyKIRLHOVMLCZRKU-ZEECNFPPSA-N
MW325.28 g/mol
LogP3.82
Rot. Bonds3

About 1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride

1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride (PubChem CID 171294037) has the molecular formula C17H22Cl2N2 and a molecular weight of 325.28 g/mol. Its IUPAC name is 1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride
PubChem CID171294037
Molecular FormulaC17H22Cl2N2
Molecular Weight325.28 g/mol
Exact Mass324.12
IUPAC Name1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride
SMILESC=C[C@H](c1cccc2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H20N2.2ClH/c1-2-17(19-12-10-18-11-13-19)16-9-5-7-14-6-3-4-8-15(14)16;;/h2-9,17-18H,1,10-13H2;2*1H/t17-;;/m1../s1
InChIKeyKIRLHOVMLCZRKU-ZEECNFPPSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171294072
2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131622980
3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride
CID 171272371
1-[(1R)-1-(2-fluorophenyl)prop-2-enyl]piperazine
CID 102231371
1-[(1R)-1-(2,3-dimethylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171288426
4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline
CID 171284620
1-[1-(2-phenylphenyl)prop-2-enyl]piperazine
CID 67317637
2-bromo-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171288588
2-[(1S)-1-piperazin-1-ylprop-2-enyl]benzonitrile
CID 171275414
1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride
CID 171293086
(2S)-2-naphthalen-1-yl-2-piperazin-1-ylethanol
CID 171183143
1-[(1R)-1-(3-bromo-2-fluorophenyl)prop-2-enyl]piperazine
CID 171169438

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride (CID 171294037) is 1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride is C=C[C@H](c1cccc2ccccc12)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride?
The InChIKey is KIRLHOVMLCZRKU-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H20N2.2ClH/c1-2-17(19-12-10-18-11-13-19)16-9-5-7-14-6-3-4-8-15(14)16;;/h2-9,17-18H,1,10-13H2;2*1H/t17-;;/m1../s1.
What are the key properties of 1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride?
1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride has a molecular weight of 325.28 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171294037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).