6-[(R)-cyclohexyl(piperazin-1-yl)methyl]naphthalen-2-ol

C21H28N2O — CID 171287782

IUPAC6-[(R)-cyclohexyl(piperazin-1-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2cc([C@@H](C3CCCCC3)N3CCNCC3)ccc2c1
InChIInChI=1S/C21H28N2O/c24-20-9-8-17-14-19(7-6-18(17)15-20)21(16-4-2-1-3-5-16)23-12-10-22-11-13-23/h6-9,14-16,21-22,24H,1-5,10-13H2/t21-/m1/s1
InChIKeyQEHMIJXYJRPYSP-OAQYLSRUSA-N
MW324.47 g/mol
LogP4.07
Rot. Bonds3

About 6-[(R)-cyclohexyl(piperazin-1-yl)methyl]naphthalen-2-ol

6-[(R)-cyclohexyl(piperazin-1-yl)methyl]naphthalen-2-ol (PubChem CID 171287782) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 6-[(R)-cyclohexyl(piperazin-1-yl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[(R)-cyclohexyl(piperazin-1-yl)methyl]naphthalen-2-ol
PubChem CID171287782
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name6-[(R)-cyclohexyl(piperazin-1-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2cc([C@@H](C3CCCCC3)N3CCNCC3)ccc2c1
InChIInChI=1S/C21H28N2O/c24-20-9-8-17-14-19(7-6-18(17)15-20)21(16-4-2-1-3-5-16)23-12-10-22-11-13-23/h6-9,14-16,21-22,24H,1-5,10-13H2/t21-/m1/s1
InChIKeyQEHMIJXYJRPYSP-OAQYLSRUSA-N
XLogP4.07
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine
CID 171287522
1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride
CID 171274893
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185
4-[(S)-cyclohexyl(piperazin-1-yl)methyl]benzene-1,2-diol
CID 171272484
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol
CID 171285182
6-[(R)-cyclohexyl(piperazin-1-yl)methyl]-1H-indole
CID 171290490
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride
CID 171168177
1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171287555
1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283650
1-[(R)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171296270
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353
1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
CID 95483787

Frequently Asked Questions

What is the IUPAC name of 6-[(R)-cyclohexyl(piperazin-1-yl)methyl]naphthalen-2-ol?
The IUPAC name of 6-[(R)-cyclohexyl(piperazin-1-yl)methyl]naphthalen-2-ol (CID 171287782) is 6-[(R)-cyclohexyl(piperazin-1-yl)methyl]naphthalen-2-ol.
What is the SMILES notation for 6-[(R)-cyclohexyl(piperazin-1-yl)methyl]naphthalen-2-ol?
The canonical SMILES for 6-[(R)-cyclohexyl(piperazin-1-yl)methyl]naphthalen-2-ol is Oc1ccc2cc([C@@H](C3CCCCC3)N3CCNCC3)ccc2c1.
What is the InChIKey of 6-[(R)-cyclohexyl(piperazin-1-yl)methyl]naphthalen-2-ol?
The InChIKey is QEHMIJXYJRPYSP-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28N2O/c24-20-9-8-17-14-19(7-6-18(17)15-20)21(16-4-2-1-3-5-16)23-12-10-22-11-13-23/h6-9,14-16,21-22,24H,1-5,10-13H2/t21-/m1/s1.
What are the key properties of 6-[(R)-cyclohexyl(piperazin-1-yl)methyl]naphthalen-2-ol?
6-[(R)-cyclohexyl(piperazin-1-yl)methyl]naphthalen-2-ol has a molecular weight of 324.47 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(R)-cyclohexyl(piperazin-1-yl)methyl]naphthalen-2-ol is sourced from PubChem (CID 171287782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).