[1-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanamine

C16H26N2 — CID 54793607

IUPAC[1-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanamine
SMILESCc1cc(C)c(CN2CCC(CN)CC2)c(C)c1
InChIInChI=1S/C16H26N2/c1-12-8-13(2)16(14(3)9-12)11-18-6-4-15(10-17)5-7-18/h8-9,15H,4-7,10-11,17H2,1-3H3
InChIKeyHMYLMCIOLZEPIF-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.78
Rot. Bonds3

About [1-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanamine

[1-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanamine (PubChem CID 54793607) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [1-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanamine
PubChem CID54793607
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[1-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanamine
SMILESCc1cc(C)c(CN2CCC(CN)CC2)c(C)c1
InChIInChI=1S/C16H26N2/c1-12-8-13(2)16(14(3)9-12)11-18-6-4-15(10-17)5-7-18/h8-9,15H,4-7,10-11,17H2,1-3H3
InChIKeyHMYLMCIOLZEPIF-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine
CID 62122086
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 19623264
[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927229
[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine
CID 67492267
[1-[(2,4,6-trimethylphenyl)methyl]azepan-2-yl]methanamine
CID 116640521
2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-amine
CID 63340344
[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine
CID 81312464
2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethanethioamide
CID 63336479
[1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
CID 120834617
3-bromo-1-[(2,4,6-trimethylphenyl)methyl]piperidine
CID 80680558
1-[1-[(2,4,6-trimethylphenyl)methyl]azetidin-3-yl]piperazine
CID 66201053
8-[(2,4,6-trimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55150209

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanamine (CID 54793607) is [1-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanamine is Cc1cc(C)c(CN2CCC(CN)CC2)c(C)c1.
What is the InChIKey of [1-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanamine?
The InChIKey is HMYLMCIOLZEPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-8-13(2)16(14(3)9-12)11-18-6-4-15(10-17)5-7-18/h8-9,15H,4-7,10-11,17H2,1-3H3.
What are the key properties of [1-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanamine?
[1-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 54793607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).