[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone

C20H23ClN2O3 — CID 3144428

IUPAC[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(CC(O)COc2ccccc2Cl)CC1
InChIInChI=1S/C20H23ClN2O3/c21-18-8-4-5-9-19(18)26-15-17(24)14-22-10-12-23(13-11-22)20(25)16-6-2-1-3-7-16/h1-9,17,24H,10-15H2
InChIKeyVXUCUPSUNGYPHE-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.54
Rot. Bonds6

About [4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone

[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone (PubChem CID 3144428) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is [4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
PubChem CID3144428
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(CC(O)COc2ccccc2Cl)CC1
InChIInChI=1S/C20H23ClN2O3/c21-18-8-4-5-9-19(18)26-15-17(24)14-22-10-12-23(13-11-22)20(25)16-6-2-1-3-7-16/h1-9,17,24H,10-15H2
InChIKeyVXUCUPSUNGYPHE-UHFFFAOYSA-N
XLogP2.54
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone
CID 112845209
[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
CID 31591068
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
[4-[3-(3-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone;hydrochloride
CID 126476891
(2S)-1-(2-chlorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 34207051
[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone
CID 2930774
2-[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 112771667
(2R)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 124670195
[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1119141
1-(2-chlorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 18823227

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone (CID 3144428) is [4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(CC(O)COc2ccccc2Cl)CC1.
What is the InChIKey of [4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is VXUCUPSUNGYPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c21-18-8-4-5-9-19(18)26-15-17(24)14-22-10-12-23(13-11-22)20(25)16-6-2-1-3-7-16/h1-9,17,24H,10-15H2.
What are the key properties of [4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone?
[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 374.87 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 3144428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).