4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline

C14H22N2O — CID 43134589

IUPAC4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline
SMILESCOc1ccc(N)cc1CN1CCCC(C)C1
InChIInChI=1S/C14H22N2O/c1-11-4-3-7-16(9-11)10-12-8-13(15)5-6-14(12)17-2/h5-6,8,11H,3-4,7,9-10,15H2,1-2H3
InChIKeyNDYIIDOVVCBNBS-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.51
Rot. Bonds3

About 4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline

4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline (PubChem CID 43134589) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline
PubChem CID43134589
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline
SMILESCOc1ccc(N)cc1CN1CCCC(C)C1
InChIInChI=1S/C14H22N2O/c1-11-4-3-7-16(9-11)10-12-8-13(15)5-6-14(12)17-2/h5-6,8,11H,3-4,7,9-10,15H2,1-2H3
InChIKeyNDYIIDOVVCBNBS-UHFFFAOYSA-N
XLogP2.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline
CID 43584169
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-methoxyaniline
CID 79940675
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-methoxyaniline
CID 43620120
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
3-bromo-4-[(3-methylpiperidin-1-yl)methyl]aniline
CID 60795850
(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine
CID 26458710
(3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine
CID 26458149
4-methoxy-3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]aniline
CID 79941103
[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 43134614
4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline
CID 107208239
4-[[(3S)-3-methylpiperidin-1-yl]methyl]aniline
CID 28720719
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine
CID 783360

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline?
The IUPAC name of 4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline (CID 43134589) is 4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline.
What is the SMILES notation for 4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline?
The canonical SMILES for 4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline is COc1ccc(N)cc1CN1CCCC(C)C1.
What is the InChIKey of 4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline?
The InChIKey is NDYIIDOVVCBNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-4-3-7-16(9-11)10-12-8-13(15)5-6-14(12)17-2/h5-6,8,11H,3-4,7,9-10,15H2,1-2H3.
What are the key properties of 4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline?
4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline has a molecular weight of 234.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 43134589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).