1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine

C21H30N2O — CID 171310667

IUPAC1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine
SMILESCOc1ccc2cc([C@@H](CCC(C)C)N3CCNCC3)ccc2c1
InChIInChI=1S/C21H30N2O/c1-16(2)4-9-21(23-12-10-22-11-13-23)19-6-5-18-15-20(24-3)8-7-17(18)14-19/h5-8,14-16,21-22H,4,9-13H2,1-3H3/t21-/m1/s1
InChIKeyKTKSDASQSFEWQX-OAQYLSRUSA-N
MW326.48 g/mol
LogP4.23
Rot. Bonds6

About 1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine

1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine (PubChem CID 171310667) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine
PubChem CID171310667
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine
SMILESCOc1ccc2cc([C@@H](CCC(C)C)N3CCNCC3)ccc2c1
InChIInChI=1S/C21H30N2O/c1-16(2)4-9-21(23-12-10-22-11-13-23)19-6-5-18-15-20(24-3)8-7-17(18)14-19/h5-8,14-16,21-22H,4,9-13H2,1-3H3/t21-/m1/s1
InChIKeyKTKSDASQSFEWQX-OAQYLSRUSA-N
XLogP4.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171309970
(3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol
CID 171189440
1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine
CID 171307368
1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride
CID 171168427
(3R)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropanenitrile
CID 171306560
1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]piperazine
CID 171286074
1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine
CID 171309939
1-[(1S)-1-(2-bromo-5-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310148
trimethyl-[4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenoxy]silane
CID 171311005
1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine
CID 171168617
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine (CID 171310667) is 1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine is COc1ccc2cc([C@@H](CCC(C)C)N3CCNCC3)ccc2c1.
What is the InChIKey of 1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine?
The InChIKey is KTKSDASQSFEWQX-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H30N2O/c1-16(2)4-9-21(23-12-10-22-11-13-23)19-6-5-18-15-20(24-3)8-7-17(18)14-19/h5-8,14-16,21-22H,4,9-13H2,1-3H3/t21-/m1/s1.
What are the key properties of 1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine?
1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine has a molecular weight of 326.48 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine is sourced from PubChem (CID 171310667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).