4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride

C18H24Cl2N2O — CID 171292390

IUPAC4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride
SMILESC=CC[C@H](c1ccc(O)c2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C18H22N2O.2ClH/c1-2-5-17(20-12-10-19-11-13-20)15-8-9-18(21)16-7-4-3-6-14(15)16;;/h2-4,6-9,17,19,21H,1,5,10-13H2;2*1H/t17-;;/m1../s1
InChIKeyURDQLXYGNFACNF-ZEECNFPPSA-N
MW355.31 g/mol
LogP3.91
Rot. Bonds4

About 4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride

4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride (PubChem CID 171292390) has the molecular formula C18H24Cl2N2O and a molecular weight of 355.31 g/mol. Its IUPAC name is 4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride
PubChem CID171292390
Molecular FormulaC18H24Cl2N2O
Molecular Weight355.31 g/mol
Exact Mass354.13
IUPAC Name4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride
SMILESC=CC[C@H](c1ccc(O)c2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C18H22N2O.2ClH/c1-2-5-17(20-12-10-19-11-13-20)15-8-9-18(21)16-7-4-3-6-14(15)16;;/h2-4,6-9,17,19,21H,1,5,10-13H2;2*1H/t17-;;/m1../s1
InChIKeyURDQLXYGNFACNF-ZEECNFPPSA-N
XLogP3.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride
CID 171279766
4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride
CID 171183518
1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine
CID 171284273
4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride
CID 171171355
2-[(1R)-1-piperazin-1-ylbut-3-enyl]benzene-1,4-diol;dihydrochloride
CID 171287417
4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride
CID 171308012
1-[(1S)-1-(2-iodophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171280664
1-[(1R)-1-(2-bromophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171285069
3-fluoro-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;hydrochloride
CID 171168332
2-chloro-6-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171290078
3-fluoro-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171285915
1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine
CID 171294077

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride?
The IUPAC name of 4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride (CID 171292390) is 4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride.
What is the SMILES notation for 4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride?
The canonical SMILES for 4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride is C=CC[C@H](c1ccc(O)c2ccccc12)N1CCNCC1.Cl.Cl.
What is the InChIKey of 4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride?
The InChIKey is URDQLXYGNFACNF-ZEECNFPPSA-N. The full InChI is InChI=1S/C18H22N2O.2ClH/c1-2-5-17(20-12-10-19-11-13-20)15-8-9-18(21)16-7-4-3-6-14(15)16;;/h2-4,6-9,17,19,21H,1,5,10-13H2;2*1H/t17-;;/m1../s1.
What are the key properties of 4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride?
4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride has a molecular weight of 355.31 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride is sourced from PubChem (CID 171292390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).