3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline

C16H26N2O — CID 115209878

IUPAC3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline
SMILESCCc1cc(N(C)CC2CCNCC2)ccc1OC
InChIInChI=1S/C16H26N2O/c1-4-14-11-15(5-6-16(14)19-3)18(2)12-13-7-9-17-10-8-13/h5-6,11,13,17H,4,7-10,12H2,1-3H3
InChIKeyNYDQQQRMCLBOCS-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.69
Rot. Bonds5

About 3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline

3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline (PubChem CID 115209878) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline
PubChem CID115209878
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline
SMILESCCc1cc(N(C)CC2CCNCC2)ccc1OC
InChIInChI=1S/C16H26N2O/c1-4-14-11-15(5-6-16(14)19-3)18(2)12-13-7-9-17-10-8-13/h5-6,11,13,17H,4,7-10,12H2,1-3H3
InChIKeyNYDQQQRMCLBOCS-UHFFFAOYSA-N
XLogP2.69
TPSA24.50 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 ≤ 52.69
H-Bond Donors ≤ 51
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

4-ethyl-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 62002097
3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210219
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717050
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118917
4-[(4-methoxy-N,3-dimethylanilino)methyl]cyclohexan-1-one
CID 115240070
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 61417528
3-(3-ethyl-4-methoxy-N-methylanilino)propanenitrile
CID 115230759
2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117888
(3-ethyl-4-methoxyphenyl)-piperidin-4-ylmethanol
CID 82297068
3-iodo-N-methyl-4-nitro-N-(piperidin-4-ylmethyl)aniline
CID 106493510
N-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline
CID 119930941
2,5-dimethoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79700189

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline?
The IUPAC name of 3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline (CID 115209878) is 3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline.
What is the SMILES notation for 3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline?
The canonical SMILES for 3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline is CCc1cc(N(C)CC2CCNCC2)ccc1OC.
What is the InChIKey of 3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline?
The InChIKey is NYDQQQRMCLBOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-14-11-15(5-6-16(14)19-3)18(2)12-13-7-9-17-10-8-13/h5-6,11,13,17H,4,7-10,12H2,1-3H3.
What are the key properties of 3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline?
3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline has a molecular weight of 262.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline is sourced from PubChem (CID 115209878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).