[4-[(2R)-3-[4-(2,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone

C26H26Cl2N2O3 — CID 25407828

IUPAC[4-[(2R)-3-[4-(2,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OC[C@H](O)CN2CCN(c3cc(Cl)ccc3Cl)CC2)cc1
InChIInChI=1S/C26H26Cl2N2O3/c27-21-8-11-24(28)25(16-21)30-14-12-29(13-15-30)17-22(31)18-33-23-9-6-20(7-10-23)26(32)19-4-2-1-3-5-19/h1-11,16,22,31H,12-15,17-18H2/t22-/m1/s1
InChIKeyROXJWEJUXYBOSD-JOCHJYFZSA-N
MW485.41 g/mol
LogP4.79
Rot. Bonds8

About [4-[(2R)-3-[4-(2,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone

[4-[(2R)-3-[4-(2,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone (PubChem CID 25407828) has the molecular formula C26H26Cl2N2O3 and a molecular weight of 485.41 g/mol. Its IUPAC name is [4-[(2R)-3-[4-(2,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(2R)-3-[4-(2,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
PubChem CID25407828
Molecular FormulaC26H26Cl2N2O3
Molecular Weight485.41 g/mol
Exact Mass484.13
IUPAC Name[4-[(2R)-3-[4-(2,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OC[C@H](O)CN2CCN(c3cc(Cl)ccc3Cl)CC2)cc1
InChIInChI=1S/C26H26Cl2N2O3/c27-21-8-11-24(28)25(16-21)30-14-12-29(13-15-30)17-22(31)18-33-23-9-6-20(7-10-23)26(32)19-4-2-1-3-5-19/h1-11,16,22,31H,12-15,17-18H2/t22-/m1/s1
InChIKeyROXJWEJUXYBOSD-JOCHJYFZSA-N
XLogP4.79
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.41
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 3954727
[4-[(2S)-3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-(4-chlorophenyl)methanone
CID 28822766
(2R)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 30930129
[4-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 2147530
(2R)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-chlorophenoxy)propan-2-ol
CID 1325536
[4-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 69018158
1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
CID 53352471
[3-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]-phenylmethanone
CID 57385271
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol;hydrochloride
CID 16807134
1-(4-chloro-3-methylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770617
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol;dihydrochloride
CID 2920048
1-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 16800906

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-3-[4-(2,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[(2R)-3-[4-(2,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone (CID 25407828) is [4-[(2R)-3-[4-(2,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(2R)-3-[4-(2,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(2R)-3-[4-(2,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(OC[C@H](O)CN2CCN(c3cc(Cl)ccc3Cl)CC2)cc1.
What is the InChIKey of [4-[(2R)-3-[4-(2,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone?
The InChIKey is ROXJWEJUXYBOSD-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H26Cl2N2O3/c27-21-8-11-24(28)25(16-21)30-14-12-29(13-15-30)17-22(31)18-33-23-9-6-20(7-10-23)26(32)19-4-2-1-3-5-19/h1-11,16,22,31H,12-15,17-18H2/t22-/m1/s1.
What are the key properties of [4-[(2R)-3-[4-(2,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone?
[4-[(2R)-3-[4-(2,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone has a molecular weight of 485.41 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-3-[4-(2,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 25407828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).