1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine

C16H24F2N2O — CID 171165002

IUPAC1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine
SMILESCCCC[C@@H](c1ccc(OC(F)F)cc1)N1CCNCC1
InChIInChI=1S/C16H24F2N2O/c1-2-3-4-15(20-11-9-19-10-12-20)13-5-7-14(8-6-13)21-16(17)18/h5-8,15-16,19H,2-4,9-12H2,1H3/t15-/m0/s1
InChIKeyOFXHQBWUIKOZBB-HNNXBMFYSA-N
MW298.38 g/mol
LogP3.42
Rot. Bonds7

About 1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine

1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine (PubChem CID 171165002) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine
PubChem CID171165002
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine
SMILESCCCC[C@@H](c1ccc(OC(F)F)cc1)N1CCNCC1
InChIInChI=1S/C16H24F2N2O/c1-2-3-4-15(20-11-9-19-10-12-20)13-5-7-14(8-6-13)21-16(17)18/h5-8,15-16,19H,2-4,9-12H2,1H3/t15-/m0/s1
InChIKeyOFXHQBWUIKOZBB-HNNXBMFYSA-N
XLogP3.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171307865
1-[(1S)-1-[4-(difluoromethoxy)phenyl]hept-6-enyl]piperazine
CID 171165023
1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine
CID 171171240
1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171171241
1-[(1R)-1-(4-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307483
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]hexyl]piperazine;dihydrochloride
CID 171309260
1-[(1S)-1-[4-(difluoromethoxy)phenyl]-3-methylbutyl]piperazine;dihydrochloride
CID 171278259
1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171162894
1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine
CID 171309305
1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308008
1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine
CID 171307368
1-[(1S)-1-(3,5-dimethoxyphenyl)pentyl]piperazine
CID 171308687

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine?
The IUPAC name of 1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine (CID 171165002) is 1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine is CCCC[C@@H](c1ccc(OC(F)F)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine?
The InChIKey is OFXHQBWUIKOZBB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-2-3-4-15(20-11-9-19-10-12-20)13-5-7-14(8-6-13)21-16(17)18/h5-8,15-16,19H,2-4,9-12H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine?
1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine has a molecular weight of 298.38 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine is sourced from PubChem (CID 171165002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).