1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride

C19H28Cl2N2 — CID 171294063

IUPAC1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride
SMILESCC(C)C[C@H](c1cccc2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H26N2.2ClH/c1-15(2)14-19(21-12-10-20-11-13-21)18-9-5-7-16-6-3-4-8-17(16)18;;/h3-9,15,19-20H,10-14H2,1-2H3;2*1H/t19-;;/m1../s1
InChIKeyCGCCSFZUNRUENB-JQDLGSOUSA-N
MW355.35 g/mol
LogP4.68
Rot. Bonds4

About 1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride

1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride (PubChem CID 171294063) has the molecular formula C19H28Cl2N2 and a molecular weight of 355.35 g/mol. Its IUPAC name is 1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride
PubChem CID171294063
Molecular FormulaC19H28Cl2N2
Molecular Weight355.35 g/mol
Exact Mass354.16
IUPAC Name1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride
SMILESCC(C)C[C@H](c1cccc2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H26N2.2ClH/c1-15(2)14-19(21-12-10-20-11-13-21)18-9-5-7-16-6-3-4-8-17(16)18;;/h3-9,15,19-20H,10-14H2,1-2H3;2*1H/t19-;;/m1../s1
InChIKeyCGCCSFZUNRUENB-JQDLGSOUSA-N
XLogP4.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171285088
2-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol
CID 171274668
(2S)-2-naphthalen-1-yl-2-piperazin-1-ylethanol
CID 171183143
1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole
CID 95487496
1-[(1S)-1-(2-bromo-3-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171164385
1-[(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171289332
1-[(1R)-3-methyl-1-[2-(trifluoromethyl)phenyl]butyl]piperazine
CID 171170492
2-methyl-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol
CID 171281836
1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine
CID 171295034
1-[(1S)-4-methyl-1-phenanthren-9-ylpentyl]piperazine;dihydrochloride
CID 171310434
1-[(1S)-3-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine
CID 171273831
1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride
CID 171294037

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride (CID 171294063) is 1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride is CC(C)C[C@H](c1cccc2ccccc12)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride?
The InChIKey is CGCCSFZUNRUENB-JQDLGSOUSA-N. The full InChI is InChI=1S/C19H26N2.2ClH/c1-15(2)14-19(21-12-10-20-11-13-21)18-9-5-7-16-6-3-4-8-17(16)18;;/h3-9,15,19-20H,10-14H2,1-2H3;2*1H/t19-;;/m1../s1.
What are the key properties of 1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride?
1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride has a molecular weight of 355.35 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride is sourced from PubChem (CID 171294063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).