1-[2-(nitrosomethyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-ol

C20H25N3O2 — CID 57309013

IUPAC1-[2-(nitrosomethyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESO=NCc1ccccc1CC(O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c24-20(14-17-6-4-5-7-18(17)15-21-25)16-22-10-12-23(13-11-22)19-8-2-1-3-9-19/h1-9,20,24H,10-16H2
InChIKeyXOKJIVKYLYFPDP-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.68
Rot. Bonds7

About 1-[2-(nitrosomethyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-ol

1-[2-(nitrosomethyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-ol (PubChem CID 57309013) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[2-(nitrosomethyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[2-(nitrosomethyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-ol
PubChem CID57309013
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[2-(nitrosomethyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESO=NCc1ccccc1CC(O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c24-20(14-17-6-4-5-7-18(17)15-21-25)16-22-10-12-23(13-11-22)19-8-2-1-3-9-19/h1-9,20,24H,10-16H2
InChIKeyXOKJIVKYLYFPDP-UHFFFAOYSA-N
XLogP2.68
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(hydroxyiminomethyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 88749076
1-[2-(hydroxyiminomethyl)-5-methylphenyl]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 88751685
(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
ethyl 3-hydroxy-4-(4-phenylpiperazin-1-yl)butanoate
CID 82771388
(2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 92573641
(2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid
CID 177277413
(2R)-1-(3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 764656
2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid
CID 19433570
1-(4-chloro-3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2873605
(2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 1478990
4-[4-[(2S)-2,3-dihydroxypropyl]piperazin-1-yl]benzoic acid
CID 138039616

Frequently Asked Questions

What is the IUPAC name of 1-[2-(nitrosomethyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-[2-(nitrosomethyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-ol (CID 57309013) is 1-[2-(nitrosomethyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[2-(nitrosomethyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-[2-(nitrosomethyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-ol is O=NCc1ccccc1CC(O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[2-(nitrosomethyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The InChIKey is XOKJIVKYLYFPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-20(14-17-6-4-5-7-18(17)15-21-25)16-22-10-12-23(13-11-22)19-8-2-1-3-9-19/h1-9,20,24H,10-16H2.
What are the key properties of 1-[2-(nitrosomethyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-ol?
1-[2-(nitrosomethyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-ol has a molecular weight of 339.44 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(nitrosomethyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 57309013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).