1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine

C19H26N2 — CID 171304370

IUPAC1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine
SMILESCCC(C)[C@H](c1ccc2ccccc2c1)N1CCNCC1
InChIInChI=1S/C19H26N2/c1-3-15(2)19(21-12-10-20-11-13-21)18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15,19-20H,3,10-13H2,1-2H3/t15?,19-/m1/s1
InChIKeyGRDGUDHDZPIBGS-XCWJXAQQSA-N
MW282.43 g/mol
LogP3.83
Rot. Bonds4

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

1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine (PubChem CID 171304370) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine
PubChem CID171304370
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine
SMILESCCC(C)[C@H](c1ccc2ccccc2c1)N1CCNCC1
InChIInChI=1S/C19H26N2/c1-3-15(2)19(21-12-10-20-11-13-21)18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15,19-20H,3,10-13H2,1-2H3/t15?,19-/m1/s1
InChIKeyGRDGUDHDZPIBGS-XCWJXAQQSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole
CID 171305318
1-[(1R)-1-naphthalen-2-ylpropyl]piperazine;dihydrochloride
CID 171287508
1-[(1S)-2-methyl-1-(3-phenoxyphenyl)butyl]piperazine
CID 171305102
1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine
CID 171304320
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-[(1S)-1-(3,4-dibromophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305673
1-[(1S)-1-(3-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305039
1-[(1R)-1-(4-fluoro-3-methylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304499
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutyl]piperazine
CID 171305376
4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171304229
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304375
1-[(1S)-1-(3-bromo-4-methoxyphenyl)-2-methylbutyl]piperazine
CID 171305332

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine?
The IUPAC name of 1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine (CID 171304370) is 1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine.
What is the SMILES notation for 1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine?
The canonical SMILES for 1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine is CCC(C)[C@H](c1ccc2ccccc2c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine?
The InChIKey is GRDGUDHDZPIBGS-XCWJXAQQSA-N. The full InChI is InChI=1S/C19H26N2/c1-3-15(2)19(21-12-10-20-11-13-21)18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15,19-20H,3,10-13H2,1-2H3/t15?,19-/m1/s1.
What are the key properties of 1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine?
1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine has a molecular weight of 282.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine is sourced from PubChem (CID 171304370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).