6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride

C18H26Cl2N2O — CID 171275163

IUPAC6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride
SMILESCCC[C@@H](c1ccc2cc(O)ccc2c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C18H24N2O.2ClH/c1-2-3-18(20-10-8-19-9-11-20)16-5-4-15-13-17(21)7-6-14(15)12-16;;/h4-7,12-13,18-19,21H,2-3,8-11H2,1H3;2*1H/t18-;;/m0../s1
InChIKeyZNBFMVUCQBCATH-NTEVMMBTSA-N
MW357.33 g/mol
LogP4.14
Rot. Bonds4

About 6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride

6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride (PubChem CID 171275163) has the molecular formula C18H26Cl2N2O and a molecular weight of 357.33 g/mol. Its IUPAC name is 6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride.

Molecular Properties

Compound Name6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride
PubChem CID171275163
Molecular FormulaC18H26Cl2N2O
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC Name6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride
SMILESCCC[C@@H](c1ccc2cc(O)ccc2c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C18H24N2O.2ClH/c1-2-3-18(20-10-8-19-9-11-20)16-5-4-15-13-17(21)7-6-14(15)12-16;;/h4-7,12-13,18-19,21H,2-3,8-11H2,1H3;2*1H/t18-;;/m0../s1
InChIKeyZNBFMVUCQBCATH-NTEVMMBTSA-N
XLogP4.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
CID 171275145
6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol
CID 171287800
6-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol
CID 171275172
5-[(1S)-1-piperazin-1-ylbutyl]benzene-1,3-diol;dihydrochloride
CID 171273865
1-[(1R)-1-naphthalen-2-ylpentyl]piperazine;dihydrochloride
CID 171307529
2-chloro-4-[(1S)-1-piperazin-1-ylbutyl]phenol
CID 171275716
2-methoxy-5-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171273405
4-bromo-3-[(1R)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171289197
3-fluoro-4-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171273298
1-[(1R)-1-naphthalen-2-ylpropyl]piperazine;dihydrochloride
CID 171287508
4-bromo-3-[(1S)-1-piperazin-1-ylbutyl]phenol
CID 171276571
1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine
CID 171307368

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride?
The IUPAC name of 6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride (CID 171275163) is 6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride.
What is the SMILES notation for 6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride?
The canonical SMILES for 6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride is CCC[C@@H](c1ccc2cc(O)ccc2c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride?
The InChIKey is ZNBFMVUCQBCATH-NTEVMMBTSA-N. The full InChI is InChI=1S/C18H24N2O.2ClH/c1-2-3-18(20-10-8-19-9-11-20)16-5-4-15-13-17(21)7-6-14(15)12-16;;/h4-7,12-13,18-19,21H,2-3,8-11H2,1H3;2*1H/t18-;;/m0../s1.
What are the key properties of 6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride?
6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride has a molecular weight of 357.33 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride is sourced from PubChem (CID 171275163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).