5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylaniline

C15H24N2 — CID 28599320

IUPAC5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylaniline
SMILESCc1ccc(CN2[C@H](C)CCC[C@@H]2C)cc1N
InChIInChI=1S/C15H24N2/c1-11-7-8-14(9-15(11)16)10-17-12(2)5-4-6-13(17)3/h7-9,12-13H,4-6,10,16H2,1-3H3/t12-,13+
InChIKeyLJUVSYVCSNMFBG-BETUJISGSA-N
MW232.37 g/mol
LogP3.34
Rot. Bonds2

About 5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylaniline

5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylaniline (PubChem CID 28599320) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylaniline.

Molecular Properties

Compound Name5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylaniline
PubChem CID28599320
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylaniline
SMILESCc1ccc(CN2[C@H](C)CCC[C@@H]2C)cc1N
InChIInChI=1S/C15H24N2/c1-11-7-8-14(9-15(11)16)10-17-12(2)5-4-6-13(17)3/h7-9,12-13H,4-6,10,16H2,1-3H3/t12-,13+
InChIKeyLJUVSYVCSNMFBG-BETUJISGSA-N
XLogP3.34
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 ≤ 53.34
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

4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]aniline
CID 1084714
[4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
CID 114478552
2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol
CID 103886816
1-(3-amino-4-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propan-1-ol
CID 82136088
5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline
CID 62368313
5-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
CID 63621067
1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63532635
3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 43185042
3-[(2,6-dimethylpiperidin-1-yl)methyl]naphthalen-2-amine
CID 61213687
5-[(2,6-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295059
2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105352123
[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
CID 104968907

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylaniline?
The IUPAC name of 5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylaniline (CID 28599320) is 5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylaniline.
What is the SMILES notation for 5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylaniline?
The canonical SMILES for 5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylaniline is Cc1ccc(CN2[C@H](C)CCC[C@@H]2C)cc1N.
What is the InChIKey of 5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylaniline?
The InChIKey is LJUVSYVCSNMFBG-BETUJISGSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-7-8-14(9-15(11)16)10-17-12(2)5-4-6-13(17)3/h7-9,12-13H,4-6,10,16H2,1-3H3/t12-,13+.
What are the key properties of 5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylaniline?
5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylaniline has a molecular weight of 232.37 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylaniline is sourced from PubChem (CID 28599320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).