(3R)-3-piperazin-1-yl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride

C15H21ClF4N2O2 — CID 171173823

IUPAC(3R)-3-piperazin-1-yl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride
SMILESCl.OCC[C@H](c1ccc(OC(F)(F)C(F)F)cc1)N1CCNCC1
InChIInChI=1S/C15H20F4N2O2.ClH/c16-14(17)15(18,19)23-12-3-1-11(2-4-12)13(5-10-22)21-8-6-20-7-9-21;/h1-4,13-14,20,22H,5-10H2;1H/t13-;/m1./s1
InChIKeyQTSNOQNZCJICGA-BTQNPOSSSA-N
MW372.79 g/mol
LogP2.67
Rot. Bonds7

About (3R)-3-piperazin-1-yl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride

(3R)-3-piperazin-1-yl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride (PubChem CID 171173823) has the molecular formula C15H21ClF4N2O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is (3R)-3-piperazin-1-yl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-piperazin-1-yl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride
PubChem CID171173823
Molecular FormulaC15H21ClF4N2O2
Molecular Weight372.79 g/mol
Exact Mass372.12
IUPAC Name(3R)-3-piperazin-1-yl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride
SMILESCl.OCC[C@H](c1ccc(OC(F)(F)C(F)F)cc1)N1CCNCC1
InChIInChI=1S/C15H20F4N2O2.ClH/c16-14(17)15(18,19)23-12-3-1-11(2-4-12)13(5-10-22)21-8-6-20-7-9-21;/h1-4,13-14,20,22H,5-10H2;1H/t13-;/m1./s1
InChIKeyQTSNOQNZCJICGA-BTQNPOSSSA-N
XLogP2.67
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]piperazine;hydrochloride
CID 171182597
1-[(1S)-3,3,3-trifluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171165894
1-[(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171279645
1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171171241
1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine
CID 171171240
1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride
CID 171171217
(4R)-4-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]butan-1-ol;hydrochloride
CID 171173829
(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173429
(3S)-3-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 171174156
(3S)-3-piperazin-1-yl-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride
CID 171174568
(3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
CID 171189675
1-[(1S)-2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171279665

Frequently Asked Questions

What is the IUPAC name of (3R)-3-piperazin-1-yl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-piperazin-1-yl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride (CID 171173823) is (3R)-3-piperazin-1-yl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-piperazin-1-yl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-piperazin-1-yl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride is Cl.OCC[C@H](c1ccc(OC(F)(F)C(F)F)cc1)N1CCNCC1.
What is the InChIKey of (3R)-3-piperazin-1-yl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride?
The InChIKey is QTSNOQNZCJICGA-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H20F4N2O2.ClH/c16-14(17)15(18,19)23-12-3-1-11(2-4-12)13(5-10-22)21-8-6-20-7-9-21;/h1-4,13-14,20,22H,5-10H2;1H/t13-;/m1./s1.
What are the key properties of (3R)-3-piperazin-1-yl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride?
(3R)-3-piperazin-1-yl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride has a molecular weight of 372.79 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-piperazin-1-yl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 171173823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).