1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride

C19H23Cl2N2O2- — CID 53352471

IUPAC1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
SMILESOC(COc1ccc(Cl)cc1)CN1CCN(c2ccccc2)CC1.[Cl-]
InChIInChI=1S/C19H23ClN2O2.ClH/c20-16-6-8-19(9-7-16)24-15-18(23)14-21-10-12-22(13-11-21)17-4-2-1-3-5-17;/h1-9,18,23H,10-15H2;1H/p-1
InChIKeyRUNSEJKNBWSMLK-UHFFFAOYSA-M
MW382.31 g/mol
LogP-0.09
Rot. Bonds6

About 1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride

1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride (PubChem CID 53352471) has the molecular formula C19H23Cl2N2O2- and a molecular weight of 382.31 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
PubChem CID53352471
Molecular FormulaC19H23Cl2N2O2-
Molecular Weight382.31 g/mol
Exact Mass381.11
IUPAC Name1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
SMILESOC(COc1ccc(Cl)cc1)CN1CCN(c2ccccc2)CC1.[Cl-]
InChIInChI=1S/C19H23ClN2O2.ClH/c20-16-6-8-19(9-7-16)24-15-18(23)14-21-10-12-22(13-11-21)17-4-2-1-3-5-17;/h1-9,18,23H,10-15H2;1H/p-1
InChIKeyRUNSEJKNBWSMLK-UHFFFAOYSA-M
XLogP-0.09
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 5-0.09
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
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride
CID 21236715
[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 3954727
(2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 1177221
(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 722988
4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzonitrile
CID 31061142
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol;hydrochloride
CID 16807134
1-(4-chloro-3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2873605
1-(4-chloro-3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2873604
1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride
CID 2769805

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride?
The IUPAC name of 1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride (CID 53352471) is 1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride is OC(COc1ccc(Cl)cc1)CN1CCN(c2ccccc2)CC1.[Cl-].
What is the InChIKey of 1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride?
The InChIKey is RUNSEJKNBWSMLK-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H23ClN2O2.ClH/c20-16-6-8-19(9-7-16)24-15-18(23)14-21-10-12-22(13-11-21)17-4-2-1-3-5-17;/h1-9,18,23H,10-15H2;1H/p-1.
What are the key properties of 1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride?
1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride has a molecular weight of 382.31 g/mol, XLogP of -0.09, 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-phenylpiperazin-1-yl)propan-2-ol chloride is sourced from PubChem (CID 53352471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).