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

C15H24N2 — CID 61263126

IUPAC3-[1-(3,5-dimethylpiperidin-1-yl)ethyl]aniline
SMILESCC1CC(C)CN(C(C)c2cccc(N)c2)C1
InChIInChI=1S/C15H24N2/c1-11-7-12(2)10-17(9-11)13(3)14-5-4-6-15(16)8-14/h4-6,8,11-13H,7,9-10,16H2,1-3H3
InChIKeyZGYUDZJCJYHDQD-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.31
Rot. Bonds2

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

3-[1-(3,5-dimethylpiperidin-1-yl)ethyl]aniline (PubChem CID 61263126) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[1-(3,5-dimethylpiperidin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[1-(3,5-dimethylpiperidin-1-yl)ethyl]aniline
PubChem CID61263126
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-[1-(3,5-dimethylpiperidin-1-yl)ethyl]aniline
SMILESCC1CC(C)CN(C(C)c2cccc(N)c2)C1
InChIInChI=1S/C15H24N2/c1-11-7-12(2)10-17(9-11)13(3)14-5-4-6-15(16)8-14/h4-6,8,11-13H,7,9-10,16H2,1-3H3
InChIKeyZGYUDZJCJYHDQD-UHFFFAOYSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.31
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

1-[1-(3-aminophenyl)ethyl]pyrrolidine-3,4-diol
CID 106667852
3-[1-(3-methylpiperidin-1-yl)ethyl]aniline
CID 61262194
3-[1-(3,4-dimethylpiperazin-1-yl)ethyl]aniline
CID 63603446
1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166588
3-[1-(2-methylmorpholin-4-yl)ethyl]aniline
CID 61262196
3-[1-(azepan-1-yl)ethyl]aniline
CID 61262195
[4-[1-(3-aminophenyl)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932218
3-[1-(2-azaspiro[3.3]heptan-2-yl)ethyl]aniline
CID 79689666
1-[1-(3-chlorophenyl)ethyl]-5-methylpiperidine-3-carboxylic acid
CID 122120999
N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide
CID 113402120
3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline
CID 63973619
3-[1-(1,4-oxazepan-4-yl)ethyl]aniline
CID 62987222

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-dimethylpiperidin-1-yl)ethyl]aniline?
The IUPAC name of 3-[1-(3,5-dimethylpiperidin-1-yl)ethyl]aniline (CID 61263126) is 3-[1-(3,5-dimethylpiperidin-1-yl)ethyl]aniline.
What is the SMILES notation for 3-[1-(3,5-dimethylpiperidin-1-yl)ethyl]aniline?
The canonical SMILES for 3-[1-(3,5-dimethylpiperidin-1-yl)ethyl]aniline is CC1CC(C)CN(C(C)c2cccc(N)c2)C1.
What is the InChIKey of 3-[1-(3,5-dimethylpiperidin-1-yl)ethyl]aniline?
The InChIKey is ZGYUDZJCJYHDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-7-12(2)10-17(9-11)13(3)14-5-4-6-15(16)8-14/h4-6,8,11-13H,7,9-10,16H2,1-3H3.
What are the key properties of 3-[1-(3,5-dimethylpiperidin-1-yl)ethyl]aniline?
3-[1-(3,5-dimethylpiperidin-1-yl)ethyl]aniline has a molecular weight of 232.37 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-dimethylpiperidin-1-yl)ethyl]aniline is sourced from PubChem (CID 61263126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).