3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline

C16H26N2O — CID 62213434

IUPAC3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline
SMILESCOc1cccc(N(C)CCCC2CCNCC2)c1
InChIInChI=1S/C16H26N2O/c1-18(15-6-3-7-16(13-15)19-2)12-4-5-14-8-10-17-11-9-14/h3,6-7,13-14,17H,4-5,8-12H2,1-2H3
InChIKeyPDEOMVTVPUKMGF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.91
Rot. Bonds6

About 3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline

3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline (PubChem CID 62213434) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline
PubChem CID62213434
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline
SMILESCOc1cccc(N(C)CCCC2CCNCC2)c1
InChIInChI=1S/C16H26N2O/c1-18(15-6-3-7-16(13-15)19-2)12-4-5-14-8-10-17-11-9-14/h3,6-7,13-14,17H,4-5,8-12H2,1-2H3
InChIKeyPDEOMVTVPUKMGF-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450
N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine
CID 106708049
N-(6-chlorohexyl)-3-methoxy-N-methylaniline
CID 62227835
4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile
CID 65251156
1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol
CID 64819164
N-[2-(1,3-dioxan-2-yl)ethyl]-3-methoxy-N-methylaniline
CID 66472308
4-(3-methoxy-N-methylanilino)butanehydrazide
CID 63583591
5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790325
2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile
CID 106803438
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62003980
N-(2-methoxyethyl)-N'-(3-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 55087335

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline?
The IUPAC name of 3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline (CID 62213434) is 3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline.
What is the SMILES notation for 3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline?
The canonical SMILES for 3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline is COc1cccc(N(C)CCCC2CCNCC2)c1.
What is the InChIKey of 3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline?
The InChIKey is PDEOMVTVPUKMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(15-6-3-7-16(13-15)19-2)12-4-5-14-8-10-17-11-9-14/h3,6-7,13-14,17H,4-5,8-12H2,1-2H3.
What are the key properties of 3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline?
3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline has a molecular weight of 262.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline is sourced from PubChem (CID 62213434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).