2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline

C16H26N2O — CID 43174256

IUPAC2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline
SMILESCC1CC(C)CN(CCCOc2ccccc2N)C1
InChIInChI=1S/C16H26N2O/c1-13-10-14(2)12-18(11-13)8-5-9-19-16-7-4-3-6-15(16)17/h3-4,6-7,13-14H,5,8-12,17H2,1-2H3
InChIKeyIKKVGCGIXMQLQZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.02
Rot. Bonds5

About 2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline

2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline (PubChem CID 43174256) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline
PubChem CID43174256
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline
SMILESCC1CC(C)CN(CCCOc2ccccc2N)C1
InChIInChI=1S/C16H26N2O/c1-13-10-14(2)12-18(11-13)8-5-9-19-16-7-4-3-6-15(16)17/h3-4,6-7,13-14H,5,8-12,17H2,1-2H3
InChIKeyIKKVGCGIXMQLQZ-UHFFFAOYSA-N
XLogP3.02
TPSA38.49 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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine
CID 2934051
2-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propoxy]benzoic acid
CID 26582010
(3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine
CID 7377531
(3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2300152
2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline
CID 114592202
3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine
CID 23150265
2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline
CID 62987901
2-[3-(3,5-dimethylcyclohexyl)oxypropoxy]aniline
CID 64729571
2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline
CID 103531079
(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine
CID 2184451
2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline
CID 79688063
(5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine
CID 58747936

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline?
The IUPAC name of 2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline (CID 43174256) is 2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline.
What is the SMILES notation for 2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline?
The canonical SMILES for 2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline is CC1CC(C)CN(CCCOc2ccccc2N)C1.
What is the InChIKey of 2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline?
The InChIKey is IKKVGCGIXMQLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-10-14(2)12-18(11-13)8-5-9-19-16-7-4-3-6-15(16)17/h3-4,6-7,13-14H,5,8-12,17H2,1-2H3.
What are the key properties of 2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline?
2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline has a molecular weight of 262.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline is sourced from PubChem (CID 43174256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).