1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine

C14H20F2N2 — CID 171169482

IUPAC1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine
SMILESCCC[C@H](c1cccc(F)c1F)N1CCNCC1
InChIInChI=1S/C14H20F2N2/c1-2-4-13(18-9-7-17-8-10-18)11-5-3-6-12(15)14(11)16/h3,5-6,13,17H,2,4,7-10H2,1H3/t13-/m1/s1
InChIKeyXKLKEUXMFZFCNW-CYBMUJFWSA-N
MW254.32 g/mol
LogP2.71
Rot. Bonds4

About 1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine

1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine (PubChem CID 171169482) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine
PubChem CID171169482
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine
SMILESCCC[C@H](c1cccc(F)c1F)N1CCNCC1
InChIInChI=1S/C14H20F2N2/c1-2-4-13(18-9-7-17-8-10-18)11-5-3-6-12(15)14(11)16/h3,5-6,13,17H,2,4,7-10H2,1H3/t13-/m1/s1
InChIKeyXKLKEUXMFZFCNW-CYBMUJFWSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2,3-difluorophenyl)hexyl]piperazine
CID 171164132
1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine
CID 171164114
1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine
CID 171170223
1-[(1S)-1-(3-bromo-2-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171276705
2-fluoro-6-[(1S)-1-piperazin-1-ylbutyl]phenol;hydrochloride
CID 171162750
1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine
CID 171164843
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171287847
1-[(1S)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine
CID 171276987
1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine
CID 171289612
1-[(1R)-1-(2-fluorophenyl)hexyl]piperazine
CID 171168263
1-[(1R)-1-(2,3-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303614
2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol
CID 171168188

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine (CID 171169482) is 1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine is CCC[C@H](c1cccc(F)c1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine?
The InChIKey is XKLKEUXMFZFCNW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-2-4-13(18-9-7-17-8-10-18)11-5-3-6-12(15)14(11)16/h3,5-6,13,17H,2,4,7-10H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine?
1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine has a molecular weight of 254.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine is sourced from PubChem (CID 171169482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).