3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline

C15H24N2O — CID 63973619

IUPAC3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline
SMILESCOCC1CCN(C(C)c2cccc(N)c2)CC1
InChIInChI=1S/C15H24N2O/c1-12(14-4-3-5-15(16)10-14)17-8-6-13(7-9-17)11-18-2/h3-5,10,12-13H,6-9,11,16H2,1-2H3
InChIKeyKQTFAUXHDOBVID-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.69
Rot. Bonds4

About 3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline

3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline (PubChem CID 63973619) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline.

Molecular Properties

Compound Name3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline
PubChem CID63973619
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline
SMILESCOCC1CCN(C(C)c2cccc(N)c2)CC1
InChIInChI=1S/C15H24N2O/c1-12(14-4-3-5-15(16)10-14)17-8-6-13(7-9-17)11-18-2/h3-5,10,12-13H,6-9,11,16H2,1-2H3
InChIKeyKQTFAUXHDOBVID-UHFFFAOYSA-N
XLogP2.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.69
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-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166588
3-[1-(azepan-1-yl)ethyl]aniline
CID 61262195
3-[1-(3-methylpiperidin-1-yl)ethyl]aniline
CID 61262194
1-[1-(3-aminophenyl)ethyl]pyrrolidine-3,4-diol
CID 106667852
2-[4-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 63973836
N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide
CID 113402120
3-[1-(3,4-dimethylpiperazin-1-yl)ethyl]aniline
CID 63603446
1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine
CID 64570224
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol
CID 64599486
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-amine
CID 64569900
3-[1-(2-methylmorpholin-4-yl)ethyl]aniline
CID 61262196
2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82981169

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline?
The IUPAC name of 3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline (CID 63973619) is 3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline.
What is the SMILES notation for 3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline?
The canonical SMILES for 3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline is COCC1CCN(C(C)c2cccc(N)c2)CC1.
What is the InChIKey of 3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline?
The InChIKey is KQTFAUXHDOBVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(14-4-3-5-15(16)10-14)17-8-6-13(7-9-17)11-18-2/h3-5,10,12-13H,6-9,11,16H2,1-2H3.
What are the key properties of 3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline?
3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline has a molecular weight of 248.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline is sourced from PubChem (CID 63973619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).