1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride

C19H22Cl3FN2O2-2 — CID 21236715

IUPAC1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride
SMILESOC(COc1ccc(Cl)cc1)CN1CCN(c2ccc(F)cc2)CC1.[Cl-].[Cl-]
InChIInChI=1S/C19H22ClFN2O2.2ClH/c20-15-1-7-19(8-2-15)25-14-18(24)13-22-9-11-23(12-10-22)17-5-3-16(21)4-6-17;;/h1-8,18,24H,9-14H2;2*1H/p-2
InChIKeyDTTQVBYFOOQKAZ-UHFFFAOYSA-L
MW435.75 g/mol
LogP-2.95
Rot. Bonds6

About 1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride

1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride (PubChem CID 21236715) has the molecular formula C19H22Cl3FN2O2-2 and a molecular weight of 435.75 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride
PubChem CID21236715
Molecular FormulaC19H22Cl3FN2O2-2
Molecular Weight435.75 g/mol
Exact Mass434.07
IUPAC Name1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride
SMILESOC(COc1ccc(Cl)cc1)CN1CCN(c2ccc(F)cc2)CC1.[Cl-].[Cl-]
InChIInChI=1S/C19H22ClFN2O2.2ClH/c20-15-1-7-19(8-2-15)25-14-18(24)13-22-9-11-23(12-10-22)17-5-3-16(21)4-6-17;;/h1-8,18,24H,9-14H2;2*1H/p-2
InChIKeyDTTQVBYFOOQKAZ-UHFFFAOYSA-L
XLogP-2.95
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.75
LogP ≤ 5-2.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133200
1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
CID 53352471
(2S)-1-(4-bromophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 34066082
1-(4-chlorophenoxy)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3859453
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 66549917
1-(4-chloro-3-methylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770432
(2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1364925
[4-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 2147530
[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 3954727
(2R)-1-(4-cyclohexylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 7109324
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol;dihydrochloride
CID 2920048
1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol
CID 14422864

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride?
The IUPAC name of 1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride (CID 21236715) is 1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride?
The canonical SMILES for 1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride is OC(COc1ccc(Cl)cc1)CN1CCN(c2ccc(F)cc2)CC1.[Cl-].[Cl-].
What is the InChIKey of 1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride?
The InChIKey is DTTQVBYFOOQKAZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H22ClFN2O2.2ClH/c20-15-1-7-19(8-2-15)25-14-18(24)13-22-9-11-23(12-10-22)17-5-3-16(21)4-6-17;;/h1-8,18,24H,9-14H2;2*1H/p-2.
What are the key properties of 1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride?
1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride has a molecular weight of 435.75 g/mol, XLogP of -2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride is sourced from PubChem (CID 21236715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).