1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride

C14H24Cl2FN3 — CID 171304461

IUPAC1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
SMILESCCC(C)[C@H](c1cccnc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H22FN3.2ClH/c1-3-11(2)13(18-9-7-16-8-10-18)12-5-4-6-17-14(12)15;;/h4-6,11,13,16H,3,7-10H2,1-2H3;2*1H/t11?,13-;;/m1../s1
InChIKeyPEJQUQIFBNKXLA-RNVQNLIPSA-N
MW324.27 g/mol
LogP3.06
Rot. Bonds4

About 1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride

1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride (PubChem CID 171304461) has the molecular formula C14H24Cl2FN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
PubChem CID171304461
Molecular FormulaC14H24Cl2FN3
Molecular Weight324.27 g/mol
Exact Mass323.13
IUPAC Name1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
SMILESCCC(C)[C@H](c1cccnc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H22FN3.2ClH/c1-3-11(2)13(18-9-7-16-8-10-18)12-5-4-6-17-14(12)15;;/h4-6,11,13,16H,3,7-10H2,1-2H3;2*1H/t11?,13-;;/m1../s1
InChIKeyPEJQUQIFBNKXLA-RNVQNLIPSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride
CID 171276366
1-[(1S)-2-methyl-1-(2-methylphenyl)butyl]piperazine;dihydrochloride
CID 171305477
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304391
2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171304356
1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine
CID 171304736
1-[(1S)-1-(2-fluoro-3-pyridinyl)hexyl]piperazine;dihydrochloride
CID 171308988
3-[(1R)-2-methyl-1-piperazin-1-ylbutyl]benzene-1,2-diol;dihydrochloride
CID 171304359
1-[(1S)-1-(2,4-difluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305031
4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline
CID 171304964
3-[(1S)-2-methyl-1-piperazin-1-ylbutyl]benzene-1,2-diol
CID 171305124
1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305239
1-[(1S)-2-methyl-1-(2,4,5-trifluorophenyl)butyl]piperazine
CID 171305480

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride (CID 171304461) is 1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride is CCC(C)[C@H](c1cccnc1F)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride?
The InChIKey is PEJQUQIFBNKXLA-RNVQNLIPSA-N. The full InChI is InChI=1S/C14H22FN3.2ClH/c1-3-11(2)13(18-9-7-16-8-10-18)12-5-4-6-17-14(12)15;;/h4-6,11,13,16H,3,7-10H2,1-2H3;2*1H/t11?,13-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride has a molecular weight of 324.27 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride is sourced from PubChem (CID 171304461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).