1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine

C14H19F3N2O — CID 171166965

IUPAC1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine
SMILESFCC[C@@H](c1ccccc1OC(F)F)N1CCNCC1
InChIInChI=1S/C14H19F3N2O/c15-6-5-12(19-9-7-18-8-10-19)11-3-1-2-4-13(11)20-14(16)17/h1-4,12,14,18H,5-10H2/t12-/m0/s1
InChIKeyBNQWNCZDHXXAKU-LBPRGKRZSA-N
MW288.31 g/mol
LogP2.59
Rot. Bonds6

About 1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine

1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine (PubChem CID 171166965) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine
PubChem CID171166965
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine
SMILESFCC[C@@H](c1ccccc1OC(F)F)N1CCNCC1
InChIInChI=1S/C14H19F3N2O/c15-6-5-12(19-9-7-18-8-10-19)11-3-1-2-4-13(11)20-14(16)17/h1-4,12,14,18H,5-10H2/t12-/m0/s1
InChIKeyBNQWNCZDHXXAKU-LBPRGKRZSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-[2-(difluoromethoxy)phenyl]-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171166984
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine
CID 171311153
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
CID 171177496
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171172317
1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171169097
1-[(1S)-3-fluoro-1-[2-(trifluoromethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171166620
1-[(1R)-3-fluoro-1-(2-iodophenyl)propyl]piperazine
CID 171172200
1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine
CID 171182135
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171293872
1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride
CID 171168334
1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine
CID 171168476
1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
CID 171170313

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine?
The IUPAC name of 1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine (CID 171166965) is 1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine?
The canonical SMILES for 1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine is FCC[C@@H](c1ccccc1OC(F)F)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine?
The InChIKey is BNQWNCZDHXXAKU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-6-5-12(19-9-7-18-8-10-19)11-3-1-2-4-13(11)20-14(16)17/h1-4,12,14,18H,5-10H2/t12-/m0/s1.
What are the key properties of 1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine?
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine has a molecular weight of 288.31 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine is sourced from PubChem (CID 171166965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).