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

C20H28N2O — CID 171307368

IUPAC1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine
SMILESCCCC[C@H](c1ccc2cc(OC)ccc2c1)N1CCNCC1
InChIInChI=1S/C20H28N2O/c1-3-4-5-20(22-12-10-21-11-13-22)18-7-6-17-15-19(23-2)9-8-16(17)14-18/h6-9,14-15,20-21H,3-5,10-13H2,1-2H3/t20-/m1/s1
InChIKeyBQKAINDXWNJSCX-HXUWFJFHSA-N
MW312.46 g/mol
LogP3.98
Rot. Bonds6

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

1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine (PubChem CID 171307368) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine
PubChem CID171307368
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine
SMILESCCCC[C@H](c1ccc2cc(OC)ccc2c1)N1CCNCC1
InChIInChI=1S/C20H28N2O/c1-3-4-5-20(22-12-10-21-11-13-22)18-7-6-17-15-19(23-2)9-8-16(17)14-18/h6-9,14-15,20-21H,3-5,10-13H2,1-2H3/t20-/m1/s1
InChIKeyBQKAINDXWNJSCX-HXUWFJFHSA-N
XLogP3.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol
CID 171189440
1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine
CID 171310667
1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307435
1-[(1R)-1-naphthalen-2-ylpentyl]piperazine;dihydrochloride
CID 171307529
1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride
CID 171168427
1-[(1S)-1-(3,5-dimethoxyphenyl)pentyl]piperazine
CID 171308687
1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307391
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine
CID 171307438
(3R)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropanenitrile
CID 171306560
2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308957
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine
CID 171163686

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine (CID 171307368) is 1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine is CCCC[C@H](c1ccc2cc(OC)ccc2c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine?
The InChIKey is BQKAINDXWNJSCX-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H28N2O/c1-3-4-5-20(22-12-10-21-11-13-22)18-7-6-17-15-19(23-2)9-8-16(17)14-18/h6-9,14-15,20-21H,3-5,10-13H2,1-2H3/t20-/m1/s1.
What are the key properties of 1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine?
1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine has a molecular weight of 312.46 g/mol, XLogP of 3.98, 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)pentyl]piperazine is sourced from PubChem (CID 171307368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).