1-(4-methoxy-3-nitrosophenyl)-N,N-dimethylpiperidin-4-amine

C14H21N3O2 — CID 167154013

IUPAC1-(4-methoxy-3-nitrosophenyl)-N,N-dimethylpiperidin-4-amine
SMILESCOc1ccc(N2CCC(N(C)C)CC2)cc1N=O
InChIInChI=1S/C14H21N3O2/c1-16(2)11-6-8-17(9-7-11)12-4-5-14(19-3)13(10-12)15-18/h4-5,10-11H,6-9H2,1-3H3
InChIKeyQTOBQXAFBDOKRX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.62
Rot. Bonds4

About 1-(4-methoxy-3-nitrosophenyl)-N,N-dimethylpiperidin-4-amine

1-(4-methoxy-3-nitrosophenyl)-N,N-dimethylpiperidin-4-amine (PubChem CID 167154013) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(4-methoxy-3-nitrosophenyl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-methoxy-3-nitrosophenyl)-N,N-dimethylpiperidin-4-amine
PubChem CID167154013
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(4-methoxy-3-nitrosophenyl)-N,N-dimethylpiperidin-4-amine
SMILESCOc1ccc(N2CCC(N(C)C)CC2)cc1N=O
InChIInChI=1S/C14H21N3O2/c1-16(2)11-6-8-17(9-7-11)12-4-5-14(19-3)13(10-12)15-18/h4-5,10-11H,6-9H2,1-3H3
InChIKeyQTOBQXAFBDOKRX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-nitrosophenyl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(4-methoxy-3-nitrosophenyl)-N,N-dimethylpiperidin-4-amine (CID 167154013) is 1-(4-methoxy-3-nitrosophenyl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-methoxy-3-nitrosophenyl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-methoxy-3-nitrosophenyl)-N,N-dimethylpiperidin-4-amine is COc1ccc(N2CCC(N(C)C)CC2)cc1N=O.
What is the InChIKey of 1-(4-methoxy-3-nitrosophenyl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is QTOBQXAFBDOKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16(2)11-6-8-17(9-7-11)12-4-5-14(19-3)13(10-12)15-18/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 1-(4-methoxy-3-nitrosophenyl)-N,N-dimethylpiperidin-4-amine?
1-(4-methoxy-3-nitrosophenyl)-N,N-dimethylpiperidin-4-amine 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-(4-methoxy-3-nitrosophenyl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 167154013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).