3-methoxy-5-[(4-propylpiperidin-1-yl)methyl]aniline

C16H26N2O — CID 81150307

IUPAC3-methoxy-5-[(4-propylpiperidin-1-yl)methyl]aniline
SMILESCCCC1CCN(Cc2cc(N)cc(OC)c2)CC1
InChIInChI=1S/C16H26N2O/c1-3-4-13-5-7-18(8-6-13)12-14-9-15(17)11-16(10-14)19-2/h9-11,13H,3-8,12,17H2,1-2H3
InChIKeyIBBHZFGJRCZKQR-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.29
Rot. Bonds5

About 3-methoxy-5-[(4-propylpiperidin-1-yl)methyl]aniline

3-methoxy-5-[(4-propylpiperidin-1-yl)methyl]aniline (PubChem CID 81150307) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-methoxy-5-[(4-propylpiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name3-methoxy-5-[(4-propylpiperidin-1-yl)methyl]aniline
PubChem CID81150307
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-methoxy-5-[(4-propylpiperidin-1-yl)methyl]aniline
SMILESCCCC1CCN(Cc2cc(N)cc(OC)c2)CC1
InChIInChI=1S/C16H26N2O/c1-3-4-13-5-7-18(8-6-13)12-14-9-15(17)11-16(10-14)19-2/h9-11,13H,3-8,12,17H2,1-2H3
InChIKeyIBBHZFGJRCZKQR-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
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

1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol
CID 81148745
3-methoxy-5-[(4-methylsulfanylpiperidin-1-yl)methyl]aniline
CID 114236550
3-[(4-tert-butylazepan-1-yl)methyl]-5-methoxyaniline
CID 81145134
1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119041063
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-methoxyaniline
CID 81150809
3-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)aniline
CID 81150460
ethyl 4-[(3-amino-5-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 107876878
3-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-methoxyaniline
CID 81144753
1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpiperazine-2,3-dione
CID 81150887
2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile
CID 65343978
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 15044920
3-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine
CID 86921160

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[(4-propylpiperidin-1-yl)methyl]aniline?
The IUPAC name of 3-methoxy-5-[(4-propylpiperidin-1-yl)methyl]aniline (CID 81150307) is 3-methoxy-5-[(4-propylpiperidin-1-yl)methyl]aniline.
What is the SMILES notation for 3-methoxy-5-[(4-propylpiperidin-1-yl)methyl]aniline?
The canonical SMILES for 3-methoxy-5-[(4-propylpiperidin-1-yl)methyl]aniline is CCCC1CCN(Cc2cc(N)cc(OC)c2)CC1.
What is the InChIKey of 3-methoxy-5-[(4-propylpiperidin-1-yl)methyl]aniline?
The InChIKey is IBBHZFGJRCZKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-4-13-5-7-18(8-6-13)12-14-9-15(17)11-16(10-14)19-2/h9-11,13H,3-8,12,17H2,1-2H3.
What are the key properties of 3-methoxy-5-[(4-propylpiperidin-1-yl)methyl]aniline?
3-methoxy-5-[(4-propylpiperidin-1-yl)methyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[(4-propylpiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 81150307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).