3-[3-(4-ethylpiperidin-1-yl)propyl]aniline

C16H26N2 — CID 113290630

IUPAC3-[3-(4-ethylpiperidin-1-yl)propyl]aniline
SMILESCCC1CCN(CCCc2cccc(N)c2)CC1
InChIInChI=1S/C16H26N2/c1-2-14-8-11-18(12-9-14)10-4-6-15-5-3-7-16(17)13-15/h3,5,7,13-14H,2,4,6,8-12,17H2,1H3
InChIKeyMUPAPCVDBXUTTQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.32
Rot. Bonds5

About 3-[3-(4-ethylpiperidin-1-yl)propyl]aniline

3-[3-(4-ethylpiperidin-1-yl)propyl]aniline (PubChem CID 113290630) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-[3-(4-ethylpiperidin-1-yl)propyl]aniline.

Molecular Properties

Compound Name3-[3-(4-ethylpiperidin-1-yl)propyl]aniline
PubChem CID113290630
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-[3-(4-ethylpiperidin-1-yl)propyl]aniline
SMILESCCC1CCN(CCCc2cccc(N)c2)CC1
InChIInChI=1S/C16H26N2/c1-2-14-8-11-18(12-9-14)10-4-6-15-5-3-7-16(17)13-15/h3,5,7,13-14H,2,4,6,8-12,17H2,1H3
InChIKeyMUPAPCVDBXUTTQ-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 28721152
3-[3-(4-propylpiperazin-1-yl)propyl]aniline
CID 115341726
3-[2-(4-propylazepan-1-yl)ethyl]aniline
CID 65348196
3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]aniline
CID 115341733
3-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]aniline
CID 115342167
3-[4-(azepan-1-yl)butyl]aniline
CID 94266670
3-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline
CID 65350223
3-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]aniline
CID 115342123
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]aniline
CID 28721177
3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline
CID 115342113
3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline
CID 115342117
4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propyl]piperidine
CID 71999972

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylpiperidin-1-yl)propyl]aniline?
The IUPAC name of 3-[3-(4-ethylpiperidin-1-yl)propyl]aniline (CID 113290630) is 3-[3-(4-ethylpiperidin-1-yl)propyl]aniline.
What is the SMILES notation for 3-[3-(4-ethylpiperidin-1-yl)propyl]aniline?
The canonical SMILES for 3-[3-(4-ethylpiperidin-1-yl)propyl]aniline is CCC1CCN(CCCc2cccc(N)c2)CC1.
What is the InChIKey of 3-[3-(4-ethylpiperidin-1-yl)propyl]aniline?
The InChIKey is MUPAPCVDBXUTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-14-8-11-18(12-9-14)10-4-6-15-5-3-7-16(17)13-15/h3,5,7,13-14H,2,4,6,8-12,17H2,1H3.
What are the key properties of 3-[3-(4-ethylpiperidin-1-yl)propyl]aniline?
3-[3-(4-ethylpiperidin-1-yl)propyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethylpiperidin-1-yl)propyl]aniline is sourced from PubChem (CID 113290630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).