4-methoxy-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline

C16H26N2O — CID 12923050

IUPAC4-methoxy-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
SMILESCOc1ccc(N(C)CCC2CCCCN2C)cc1
InChIInChI=1S/C16H26N2O/c1-17-12-5-4-6-14(17)11-13-18(2)15-7-9-16(19-3)10-8-15/h7-10,14H,4-6,11-13H2,1-3H3
InChIKeyAKACRSVJNVHSAK-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.01
Rot. Bonds5

About 4-methoxy-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline

4-methoxy-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline (PubChem CID 12923050) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
PubChem CID12923050
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-methoxy-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
SMILESCOc1ccc(N(C)CCC2CCCCN2C)cc1
InChIInChI=1S/C16H26N2O/c1-17-12-5-4-6-14(17)11-13-18(2)15-7-9-16(19-3)10-8-15/h7-10,14H,4-6,11-13H2,1-3H3
InChIKeyAKACRSVJNVHSAK-UHFFFAOYSA-N
XLogP3.01
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
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-[(4-methoxyphenyl)methyl]-1-methylazepane
CID 70599140
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639
3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]benzenecarbothioamide
CID 107912225
2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine
CID 53298655
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 75439284
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine
CID 91829662
3-methoxy-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]benzamide
CID 29055690
(2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 97331505
3-methoxy-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide
CID 29055686
N-[cyclohexyl(deuterio)methyl]-4-methoxy-N-methylaniline
CID 177482004

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline?
The IUPAC name of 4-methoxy-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline (CID 12923050) is 4-methoxy-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline.
What is the SMILES notation for 4-methoxy-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline?
The canonical SMILES for 4-methoxy-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline is COc1ccc(N(C)CCC2CCCCN2C)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline?
The InChIKey is AKACRSVJNVHSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-17-12-5-4-6-14(17)11-13-18(2)15-7-9-16(19-3)10-8-15/h7-10,14H,4-6,11-13H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline?
4-methoxy-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline is sourced from PubChem (CID 12923050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).