(4R)-4-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]butan-1-ol;hydrochloride

C15H22ClF3N2O2 — CID 171173829

IUPAC(4R)-4-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]butan-1-ol;hydrochloride
SMILESCl.OCCC[C@H](c1ccc(OC(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C15H21F3N2O2.ClH/c16-15(17,18)22-13-5-3-12(4-6-13)14(2-1-11-21)20-9-7-19-8-10-20;/h3-6,14,19,21H,1-2,7-11H2;1H/t14-;/m1./s1
InChIKeyFNFWKSHZFIKQQR-PFEQFJNWSA-N
MW354.80 g/mol
LogP2.73
Rot. Bonds6

About (4R)-4-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]butan-1-ol;hydrochloride

(4R)-4-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]butan-1-ol;hydrochloride (PubChem CID 171173829) has the molecular formula C15H22ClF3N2O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is (4R)-4-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4R)-4-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]butan-1-ol;hydrochloride
PubChem CID171173829
Molecular FormulaC15H22ClF3N2O2
Molecular Weight354.80 g/mol
Exact Mass354.13
IUPAC Name(4R)-4-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]butan-1-ol;hydrochloride
SMILESCl.OCCC[C@H](c1ccc(OC(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C15H21F3N2O2.ClH/c16-15(17,18)22-13-5-3-12(4-6-13)14(2-1-11-21)20-9-7-19-8-10-20;/h3-6,14,19,21H,1-2,7-11H2;1H/t14-;/m1./s1
InChIKeyFNFWKSHZFIKQQR-PFEQFJNWSA-N
XLogP2.73
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-[4-(trifluoromethoxy)phenyl]hexyl]piperazine;dihydrochloride
CID 171309260
1-[(1R)-2-fluoro-1-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 171182554
(3R)-3-piperazin-1-yl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride
CID 171173823
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171279194
1-[(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine
CID 171291836
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine
CID 171279214
(4R)-4-[2-methoxy-5-(trifluoromethoxy)phenyl]-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171173831
1-[(1R)-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]piperazine;hydrochloride
CID 171170883
1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine
CID 171170906
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-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine;hydrochloride
CID 171172768

Frequently Asked Questions

What is the IUPAC name of (4R)-4-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]butan-1-ol;hydrochloride?
The IUPAC name of (4R)-4-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]butan-1-ol;hydrochloride (CID 171173829) is (4R)-4-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]butan-1-ol;hydrochloride.
What is the SMILES notation for (4R)-4-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]butan-1-ol;hydrochloride?
The canonical SMILES for (4R)-4-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]butan-1-ol;hydrochloride is Cl.OCCC[C@H](c1ccc(OC(F)(F)F)cc1)N1CCNCC1.
What is the InChIKey of (4R)-4-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]butan-1-ol;hydrochloride?
The InChIKey is FNFWKSHZFIKQQR-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H21F3N2O2.ClH/c16-15(17,18)22-13-5-3-12(4-6-13)14(2-1-11-21)20-9-7-19-8-10-20;/h3-6,14,19,21H,1-2,7-11H2;1H/t14-;/m1./s1.
What are the key properties of (4R)-4-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]butan-1-ol;hydrochloride?
(4R)-4-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]butan-1-ol;hydrochloride has a molecular weight of 354.80 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]butan-1-ol;hydrochloride is sourced from PubChem (CID 171173829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).