1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine

C20H28N2 — CID 171308015

IUPAC1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine
SMILESCCCC[C@H](c1ccc(C)c2ccccc12)N1CCNCC1
InChIInChI=1S/C20H28N2/c1-3-4-9-20(22-14-12-21-13-15-22)19-11-10-16(2)17-7-5-6-8-18(17)19/h5-8,10-11,20-21H,3-4,9,12-15H2,1-2H3/t20-/m1/s1
InChIKeyPEGXBBMLOOQVQB-HXUWFJFHSA-N
MW296.46 g/mol
LogP4.28
Rot. Bonds5

About 1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine

1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine (PubChem CID 171308015) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine
PubChem CID171308015
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine
SMILESCCCC[C@H](c1ccc(C)c2ccccc12)N1CCNCC1
InChIInChI=1S/C20H28N2/c1-3-4-9-20(22-14-12-21-13-15-22)19-11-10-16(2)17-7-5-6-8-18(17)19/h5-8,10-11,20-21H,3-4,9,12-15H2,1-2H3/t20-/m1/s1
InChIKeyPEGXBBMLOOQVQB-HXUWFJFHSA-N
XLogP4.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride
CID 171308012
(2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183095
1-[(1S)-1-phenanthren-9-ylpentyl]piperazine;dihydrochloride
CID 171309540
1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine
CID 171180290
1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride
CID 171165950
1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine
CID 171307626
1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171292446
2-methyl-6-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171309515
1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171307766
1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine
CID 171305440
1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride
CID 171284290
1-[(1S)-1-(2-bromo-4-methylphenyl)pentyl]piperazine
CID 171308887

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine (CID 171308015) is 1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine is CCCC[C@H](c1ccc(C)c2ccccc12)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine?
The InChIKey is PEGXBBMLOOQVQB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H28N2/c1-3-4-9-20(22-14-12-21-13-15-22)19-11-10-16(2)17-7-5-6-8-18(17)19/h5-8,10-11,20-21H,3-4,9,12-15H2,1-2H3/t20-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine?
1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine has a molecular weight of 296.46 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine is sourced from PubChem (CID 171308015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).