3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline

C16H26N2O2 — CID 102955686

IUPAC3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline
SMILESCCCOc1cc(N)cc(N2CCC(C)C(OC)C2)c1
InChIInChI=1S/C16H26N2O2/c1-4-7-20-15-9-13(17)8-14(10-15)18-6-5-12(2)16(11-18)19-3/h8-10,12,16H,4-7,11,17H2,1-3H3
InChIKeySUJWVDBVXMVDOD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.92
Rot. Bonds5

About 3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline

3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline (PubChem CID 102955686) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline.

Molecular Properties

Compound Name3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline
PubChem CID102955686
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline
SMILESCCCOc1cc(N)cc(N2CCC(C)C(OC)C2)c1
InChIInChI=1S/C16H26N2O2/c1-4-7-20-15-9-13(17)8-14(10-15)18-6-5-12(2)16(11-18)19-3/h8-10,12,16H,4-7,11,17H2,1-3H3
InChIKeySUJWVDBVXMVDOD-UHFFFAOYSA-N
XLogP2.92
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-propoxyaniline
CID 80725023
3-(4-methylazepan-1-yl)-5-propoxyaniline
CID 80735346
[1-(3-amino-5-propoxyphenyl)piperidin-3-yl]methanol
CID 80731187
1-(3-amino-5-propoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 80730032
1-(3-amino-5-propoxyphenyl)pyrrolidine-3,4-diol
CID 106667631
3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline
CID 80731611
3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline
CID 80727202
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-propoxyaniline
CID 80739834
1-(3-amino-5-propoxyphenyl)piperidine-4-carboxamide
CID 80725596
2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline
CID 102955625
3-(4,4-diethylpiperidin-1-yl)-5-propoxyaniline
CID 80740038
3-(2,4-dimethylpiperidin-1-yl)-5-propoxyaniline
CID 80739316

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline?
The IUPAC name of 3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline (CID 102955686) is 3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline.
What is the SMILES notation for 3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline?
The canonical SMILES for 3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline is CCCOc1cc(N)cc(N2CCC(C)C(OC)C2)c1.
What is the InChIKey of 3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline?
The InChIKey is SUJWVDBVXMVDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-7-20-15-9-13(17)8-14(10-15)18-6-5-12(2)16(11-18)19-3/h8-10,12,16H,4-7,11,17H2,1-3H3.
What are the key properties of 3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline?
3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline has a molecular weight of 278.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline is sourced from PubChem (CID 102955686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).