3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline

C16H26N2O — CID 107208527

IUPAC3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline
SMILESCCCC1CCCCN1Cc1ccc(N)cc1OC
InChIInChI=1S/C16H26N2O/c1-3-6-15-7-4-5-10-18(15)12-13-8-9-14(17)11-16(13)19-2/h8-9,11,15H,3-7,10,12,17H2,1-2H3
InChIKeyOFHMDXRJPUGLEQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.43
Rot. Bonds5

About 3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline

3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline (PubChem CID 107208527) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline
PubChem CID107208527
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline
SMILESCCCC1CCCCN1Cc1ccc(N)cc1OC
InChIInChI=1S/C16H26N2O/c1-3-6-15-7-4-5-10-18(15)12-13-8-9-14(17)11-16(13)19-2/h8-9,11,15H,3-7,10,12,17H2,1-2H3
InChIKeyOFHMDXRJPUGLEQ-UHFFFAOYSA-N
XLogP3.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.43
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

4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-methoxyaniline
CID 107208396
4-bromo-3-[(2-propylpiperidin-1-yl)methyl]aniline
CID 83056021
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-3-methoxyaniline
CID 107208571
1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 83053445
[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 70140500
2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 83046047
4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline
CID 64767866
(2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
CID 783211
4-methoxy-3-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83053094
[2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 83053433
2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 106793710
2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile
CID 83055995

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline?
The IUPAC name of 3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline (CID 107208527) is 3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline.
What is the SMILES notation for 3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline?
The canonical SMILES for 3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline is CCCC1CCCCN1Cc1ccc(N)cc1OC.
What is the InChIKey of 3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline?
The InChIKey is OFHMDXRJPUGLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-6-15-7-4-5-10-18(15)12-13-8-9-14(17)11-16(13)19-2/h8-9,11,15H,3-7,10,12,17H2,1-2H3.
What are the key properties of 3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline?
3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 107208527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).