4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yloxyaniline

C16H26N2O2 — CID 102955586

IUPAC4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yloxyaniline
SMILESCOC1CN(c2ccc(N)c(OC(C)C)c2)CCC1C
InChIInChI=1S/C16H26N2O2/c1-11(2)20-15-9-13(5-6-14(15)17)18-8-7-12(3)16(10-18)19-4/h5-6,9,11-12,16H,7-8,10,17H2,1-4H3
InChIKeyIVFRHLFSUNJFSS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.92
Rot. Bonds4

About 4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yloxyaniline

4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yloxyaniline (PubChem CID 102955586) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yloxyaniline
PubChem CID102955586
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yloxyaniline
SMILESCOC1CN(c2ccc(N)c(OC(C)C)c2)CCC1C
InChIInChI=1S/C16H26N2O2/c1-11(2)20-15-9-13(5-6-14(15)17)18-8-7-12(3)16(10-18)19-4/h5-6,9,11-12,16H,7-8,10,17H2,1-4H3
InChIKeyIVFRHLFSUNJFSS-UHFFFAOYSA-N
XLogP2.92
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-3-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 77241165
1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol
CID 102955530
1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102958940
4-(azocan-1-yl)-2-propan-2-yloxyaniline
CID 83002719
4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxyaniline
CID 103530677
4-[(3R)-3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-2-propan-2-yloxyaniline
CID 129408485
2-[1-(4-amino-3-propan-2-yloxyphenyl)piperidin-4-yl]oxyethanol
CID 83005347
2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline
CID 83004888
4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yloxyaniline
CID 83004687
4-(2-methylazepan-1-yl)-2-propan-2-yloxyaniline
CID 83002820
1-[2-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanone
CID 114068734
4-[4-(2-methylpropyl)piperazin-1-yl]-2-propan-2-yloxyaniline
CID 83005099

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yloxyaniline?
The IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yloxyaniline (CID 102955586) is 4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yloxyaniline?
The canonical SMILES for 4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yloxyaniline is COC1CN(c2ccc(N)c(OC(C)C)c2)CCC1C.
What is the InChIKey of 4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yloxyaniline?
The InChIKey is IVFRHLFSUNJFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)20-15-9-13(5-6-14(15)17)18-8-7-12(3)16(10-18)19-4/h5-6,9,11-12,16H,7-8,10,17H2,1-4H3.
What are the key properties of 4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yloxyaniline?
4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yloxyaniline has a molecular weight of 278.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yloxyaniline is sourced from PubChem (CID 102955586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).