4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride

C19H26Cl2N2O — CID 171292394

IUPAC4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride
SMILESCl.Cl.Oc1ccc([C@@H](C2CCC2)N2CCNCC2)c2ccccc12
InChIInChI=1S/C19H24N2O.2ClH/c22-18-9-8-17(15-6-1-2-7-16(15)18)19(14-4-3-5-14)21-12-10-20-11-13-21;;/h1-2,6-9,14,19-20,22H,3-5,10-13H2;2*1H/t19-;;/m1../s1
InChIKeyNWMGRSNNXSTFJZ-JQDLGSOUSA-N
MW369.34 g/mol
LogP4.14
Rot. Bonds3

About 4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride

4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride (PubChem CID 171292394) has the molecular formula C19H26Cl2N2O and a molecular weight of 369.34 g/mol. Its IUPAC name is 4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride.

Molecular Properties

Compound Name4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride
PubChem CID171292394
Molecular FormulaC19H26Cl2N2O
Molecular Weight369.34 g/mol
Exact Mass368.14
IUPAC Name4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride
SMILESCl.Cl.Oc1ccc([C@@H](C2CCC2)N2CCNCC2)c2ccccc12
InChIInChI=1S/C19H24N2O.2ClH/c22-18-9-8-17(15-6-1-2-7-16(15)18)19(14-4-3-5-14)21-12-10-20-11-13-21;;/h1-2,6-9,14,19-20,22H,3-5,10-13H2;2*1H/t19-;;/m1../s1
InChIKeyNWMGRSNNXSTFJZ-JQDLGSOUSA-N
XLogP4.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(S)-cyclopentyl(piperazin-1-yl)methyl]benzene-1,2,3-triol;dihydrochloride
CID 171274179
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171274651
3-[(R)-cyclobutyl(piperazin-1-yl)methyl]benzene-1,2-diol
CID 171287317
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzene-1,2,3-triol
CID 171286806
3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
CID 171285009
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-methylphenol
CID 171288260
2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-5-methylphenol
CID 171281745
4-[(1R)-1-piperazin-1-ylethyl]naphthalen-1-ol
CID 171292379
4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride
CID 171183518
4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride
CID 171279766
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride
CID 171175033
6-[(S)-cyclobutyl(piperazin-1-yl)methyl]-2,3-difluorophenol;dihydrochloride
CID 171297572

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride?
The IUPAC name of 4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride (CID 171292394) is 4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride.
What is the SMILES notation for 4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride?
The canonical SMILES for 4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride is Cl.Cl.Oc1ccc([C@@H](C2CCC2)N2CCNCC2)c2ccccc12.
What is the InChIKey of 4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride?
The InChIKey is NWMGRSNNXSTFJZ-JQDLGSOUSA-N. The full InChI is InChI=1S/C19H24N2O.2ClH/c22-18-9-8-17(15-6-1-2-7-16(15)18)19(14-4-3-5-14)21-12-10-20-11-13-21;;/h1-2,6-9,14,19-20,22H,3-5,10-13H2;2*1H/t19-;;/m1../s1.
What are the key properties of 4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride?
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride has a molecular weight of 369.34 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride is sourced from PubChem (CID 171292394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).