4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline

C14H22N2O — CID 91679308

IUPAC4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1N1CC(C)CC(C)C1
InChIInChI=1S/C14H22N2O/c1-10-6-11(2)9-16(8-10)13-5-4-12(15)7-14(13)17-3/h4-5,7,10-11H,6,8-9,15H2,1-3H3
InChIKeyDISYUOVJHSNSOW-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.76
Rot. Bonds2

About 4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline

4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline (PubChem CID 91679308) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline
PubChem CID91679308
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1N1CC(C)CC(C)C1
InChIInChI=1S/C14H22N2O/c1-10-6-11(2)9-16(8-10)13-5-4-12(15)7-14(13)17-3/h4-5,7,10-11H,6,8-9,15H2,1-3H3
InChIKeyDISYUOVJHSNSOW-UHFFFAOYSA-N
XLogP2.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-1-(4-amino-2-methoxyphenyl)pyrrolidine-3,4-diol
CID 58387717
(3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine
CID 159772789
(3S,5S)-1-(2-methoxy-4-nitrophenyl)-3,5-dimethylpiperidine
CID 99966472
1-(2-methoxy-4-nitrophenyl)-3,5-dimethylpiperidine
CID 91679307
4-(3,5-dimethylpiperidin-1-yl)-3-ethylaniline
CID 91681118
5-amino-2-(3,5-dimethylpiperidin-1-yl)benzonitrile
CID 61283798
(3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol
CID 67215346
2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline
CID 63597631
3-methoxy-4-(3-methylazetidin-1-yl)benzonitrile
CID 104849244
5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 103286576
[2-(3,5-dimethylpiperidin-1-yl)-6-methoxyphenyl]methanamine
CID 134085949
4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxyaniline
CID 91684405

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline (CID 91679308) is 4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline is COc1cc(N)ccc1N1CC(C)CC(C)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline?
The InChIKey is DISYUOVJHSNSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-6-11(2)9-16(8-10)13-5-4-12(15)7-14(13)17-3/h4-5,7,10-11H,6,8-9,15H2,1-3H3.
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline?
4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline has a molecular weight of 234.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline is sourced from PubChem (CID 91679308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).