3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline

C16H26N2O — CID 115211260

IUPAC3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline
SMILESCCc1cc(NCCC2CCCNC2)ccc1OC
InChIInChI=1S/C16H26N2O/c1-3-14-11-15(6-7-16(14)19-2)18-10-8-13-5-4-9-17-12-13/h6-7,11,13,17-18H,3-5,8-10,12H2,1-2H3
InChIKeyCJGQCQMTHICJJT-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.06
Rot. Bonds6

About 3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline

3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline (PubChem CID 115211260) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline.

Molecular Properties

Compound Name3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline
PubChem CID115211260
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline
SMILESCCc1cc(NCCC2CCCNC2)ccc1OC
InChIInChI=1S/C16H26N2O/c1-3-14-11-15(6-7-16(14)19-2)18-10-8-13-5-4-9-17-12-13/h6-7,11,13,17-18H,3-5,8-10,12H2,1-2H3
InChIKeyCJGQCQMTHICJJT-UHFFFAOYSA-N
XLogP3.06
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(2-piperidin-3-ylethylamino)benzamide
CID 81278418
N-(2-piperidin-3-ylethyl)-4-propylaniline
CID 115211247
methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate
CID 66287511
3-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248226
2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170
4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211278
4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline
CID 115209479
N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline
CID 63629751
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
N-[(3-bromo-4-methoxyphenyl)methyl]-2-piperidin-3-ylethanamine
CID 115211362
3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557189
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 115211290

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline?
The IUPAC name of 3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline (CID 115211260) is 3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline.
What is the SMILES notation for 3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline?
The canonical SMILES for 3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline is CCc1cc(NCCC2CCCNC2)ccc1OC.
What is the InChIKey of 3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline?
The InChIKey is CJGQCQMTHICJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-14-11-15(6-7-16(14)19-2)18-10-8-13-5-4-9-17-12-13/h6-7,11,13,17-18H,3-5,8-10,12H2,1-2H3.
What are the key properties of 3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline?
3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline has a molecular weight of 262.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline is sourced from PubChem (CID 115211260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).