1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine

C21H28N2 — CID 171287522

IUPAC1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine
SMILESc1ccc2cc([C@@H](C3CCCCC3)N3CCNCC3)ccc2c1
InChIInChI=1S/C21H28N2/c1-2-7-18(8-3-1)21(23-14-12-22-13-15-23)20-11-10-17-6-4-5-9-19(17)16-20/h4-6,9-11,16,18,21-22H,1-3,7-8,12-15H2/t21-/m1/s1
InChIKeyBFMJSGJMNOJUFA-OAQYLSRUSA-N
MW308.47 g/mol
LogP4.37
Rot. Bonds3

About 1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine

1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine (PubChem CID 171287522) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine
PubChem CID171287522
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine
SMILESc1ccc2cc([C@@H](C3CCCCC3)N3CCNCC3)ccc2c1
InChIInChI=1S/C21H28N2/c1-2-7-18(8-3-1)21(23-14-12-22-13-15-23)20-11-10-17-6-4-5-9-19(17)16-20/h4-6,9-11,16,18,21-22H,1-3,7-8,12-15H2/t21-/m1/s1
InChIKeyBFMJSGJMNOJUFA-OAQYLSRUSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride
CID 171274893
6-[(R)-cyclohexyl(piperazin-1-yl)methyl]naphthalen-2-ol
CID 171287782
6-[(R)-cyclohexyl(piperazin-1-yl)methyl]-1H-indole
CID 171290490
4-[(S)-cyclohexyl(piperazin-1-yl)methyl]benzene-1,2-diol
CID 171272484
1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283650
1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171287555
1-[(R)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171296270
1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine
CID 171293328
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
CID 95483787
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353
1-[(R)-cyclohexyl(9H-fluoren-2-yl)methyl]piperazine;dihydrochloride
CID 171295175

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine (CID 171287522) is 1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine is c1ccc2cc([C@@H](C3CCCCC3)N3CCNCC3)ccc2c1.
What is the InChIKey of 1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine?
The InChIKey is BFMJSGJMNOJUFA-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28N2/c1-2-7-18(8-3-1)21(23-14-12-22-13-15-23)20-11-10-17-6-4-5-9-19(17)16-20/h4-6,9-11,16,18,21-22H,1-3,7-8,12-15H2/t21-/m1/s1.
What are the key properties of 1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine?
1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine has a molecular weight of 308.47 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine is sourced from PubChem (CID 171287522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).