1-(3-methoxy-4-nitrosophenyl)-4-propan-2-ylpiperazine

C14H21N3O2 — CID 88972457

IUPAC1-(3-methoxy-4-nitrosophenyl)-4-propan-2-ylpiperazine
SMILESCOc1cc(N2CCN(C(C)C)CC2)ccc1N=O
InChIInChI=1S/C14H21N3O2/c1-11(2)16-6-8-17(9-7-16)12-4-5-13(15-18)14(10-12)19-3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyQZXDFSXKRYHYAT-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.62
Rot. Bonds4

About 1-(3-methoxy-4-nitrosophenyl)-4-propan-2-ylpiperazine

1-(3-methoxy-4-nitrosophenyl)-4-propan-2-ylpiperazine (PubChem CID 88972457) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(3-methoxy-4-nitrosophenyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-methoxy-4-nitrosophenyl)-4-propan-2-ylpiperazine
PubChem CID88972457
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(3-methoxy-4-nitrosophenyl)-4-propan-2-ylpiperazine
SMILESCOc1cc(N2CCN(C(C)C)CC2)ccc1N=O
InChIInChI=1S/C14H21N3O2/c1-11(2)16-6-8-17(9-7-16)12-4-5-13(15-18)14(10-12)19-3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyQZXDFSXKRYHYAT-UHFFFAOYSA-N
XLogP2.62
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-nitrosophenyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(3-methoxy-4-nitrosophenyl)-4-propan-2-ylpiperazine (CID 88972457) is 1-(3-methoxy-4-nitrosophenyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-methoxy-4-nitrosophenyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-methoxy-4-nitrosophenyl)-4-propan-2-ylpiperazine is COc1cc(N2CCN(C(C)C)CC2)ccc1N=O.
What is the InChIKey of 1-(3-methoxy-4-nitrosophenyl)-4-propan-2-ylpiperazine?
The InChIKey is QZXDFSXKRYHYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(2)16-6-8-17(9-7-16)12-4-5-13(15-18)14(10-12)19-3/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 1-(3-methoxy-4-nitrosophenyl)-4-propan-2-ylpiperazine?
1-(3-methoxy-4-nitrosophenyl)-4-propan-2-ylpiperazine has a molecular weight of 263.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-nitrosophenyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 88972457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).