(2R)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol

C14H21N3O4 — CID 7108149

IUPAC(2R)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol
SMILESCOC[C@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H21N3O4/c1-21-11-12(18)10-15-6-8-16(9-7-15)13-4-2-3-5-14(13)17(19)20/h2-5,12,18H,6-11H2,1H3/t12-/m1/s1
InChIKeyTYHGZJMFAMIXCJ-GFCCVEGCSA-N
MW295.34 g/mol
LogP0.72
Rot. Bonds6

About (2R)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol

(2R)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol (PubChem CID 7108149) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2R)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol
PubChem CID7108149
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name(2R)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol
SMILESCOC[C@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H21N3O4/c1-21-11-12(18)10-15-6-8-16(9-7-15)13-4-2-3-5-14(13)17(19)20/h2-5,12,18H,6-11H2,1H3/t12-/m1/s1
InChIKeyTYHGZJMFAMIXCJ-GFCCVEGCSA-N
XLogP0.72
TPSA79.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-yloxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol
CID 46798078
2-amino-3-methoxy-1-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120983662
1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol
CID 78782768
2-[4-(2-nitrophenyl)piperazin-1-yl]ethanol;hydrochloride
CID 17384295
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-nitrophenyl)ethanamine
CID 57155336
4-(2-methoxyethoxy)-1-[4-(2-nitrophenyl)piperazin-1-yl]butan-1-one
CID 60567246
1-benzyl-4-(2-nitrophenyl)piperazine
CID 518171
butyl 2-[4-(2-nitrophenyl)piperazin-1-yl]acetate
CID 78821425
ethyl 4-[(2S)-2-hydroxy-3-(2-nitrophenoxy)propyl]piperazine-1-carboxylate
CID 7058825
(2S)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanoic acid
CID 94397062
1-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 13310876
2-[4-(2-nitrophenyl)piperazin-1-yl]acetonitrile
CID 16656297

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol (CID 7108149) is (2R)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol is COC[C@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of (2R)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is TYHGZJMFAMIXCJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-21-11-12(18)10-15-6-8-16(9-7-15)13-4-2-3-5-14(13)17(19)20/h2-5,12,18H,6-11H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol?
(2R)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 295.34 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 7108149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).