4-(2,4,6-trimethylanilino)piperidine-1-carboxylate

C15H21N2O2- — CID 23109910

IUPAC4-(2,4,6-trimethylanilino)piperidine-1-carboxylate
SMILESCc1cc(C)c(NC2CCN(C(=O)[O-])CC2)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-10-8-11(2)14(12(3)9-10)16-13-4-6-17(7-5-13)15(18)19/h8-9,13,16H,4-7H2,1-3H3,(H,18,19)/p-1
InChIKeySYGKBVKZXVKSFF-UHFFFAOYSA-M
MW261.34 g/mol
LogP1.83
Rot. Bonds2

About 4-(2,4,6-trimethylanilino)piperidine-1-carboxylate

4-(2,4,6-trimethylanilino)piperidine-1-carboxylate (PubChem CID 23109910) has the molecular formula C15H21N2O2- and a molecular weight of 261.34 g/mol. Its IUPAC name is 4-(2,4,6-trimethylanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Name4-(2,4,6-trimethylanilino)piperidine-1-carboxylate
PubChem CID23109910
Molecular FormulaC15H21N2O2-
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name4-(2,4,6-trimethylanilino)piperidine-1-carboxylate
SMILESCc1cc(C)c(NC2CCN(C(=O)[O-])CC2)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-10-8-11(2)14(12(3)9-10)16-13-4-6-17(7-5-13)15(18)19/h8-9,13,16H,4-7H2,1-3H3,(H,18,19)/p-1
InChIKeySYGKBVKZXVKSFF-UHFFFAOYSA-M
XLogP1.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(2,4,6-trimethylphenyl)piperidin-4-amine
CID 54861532
N-(2,4,6-trimethylphenyl)cycloheptanamine
CID 63448201
1-[4-(2,4,6-trichloroanilino)piperidin-1-yl]ethanone
CID 43773654
1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone
CID 43773718
N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide
CID 108987995
1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea
CID 47132999
ethyl 4-[[3-oxo-3-(2,4,6-trimethylanilino)propanoyl]amino]piperidine-1-carboxylate
CID 108950241
2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 111117369
[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone
CID 57394870
2-[1-[2-[4-(2,4,6-trimethylanilino)piperidin-1-yl]ethyl]cyclohexyl]propanoic acid
CID 67183461
4-(2-ethyl-6-methylanilino)piperidine-1-carboxamide
CID 54862221
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 111798574

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trimethylanilino)piperidine-1-carboxylate?
The IUPAC name of 4-(2,4,6-trimethylanilino)piperidine-1-carboxylate (CID 23109910) is 4-(2,4,6-trimethylanilino)piperidine-1-carboxylate.
What is the SMILES notation for 4-(2,4,6-trimethylanilino)piperidine-1-carboxylate?
The canonical SMILES for 4-(2,4,6-trimethylanilino)piperidine-1-carboxylate is Cc1cc(C)c(NC2CCN(C(=O)[O-])CC2)c(C)c1.
What is the InChIKey of 4-(2,4,6-trimethylanilino)piperidine-1-carboxylate?
The InChIKey is SYGKBVKZXVKSFF-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H22N2O2/c1-10-8-11(2)14(12(3)9-10)16-13-4-6-17(7-5-13)15(18)19/h8-9,13,16H,4-7H2,1-3H3,(H,18,19)/p-1.
What are the key properties of 4-(2,4,6-trimethylanilino)piperidine-1-carboxylate?
4-(2,4,6-trimethylanilino)piperidine-1-carboxylate has a molecular weight of 261.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethylanilino)piperidine-1-carboxylate is sourced from PubChem (CID 23109910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).