[4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine

C17H28N2 — CID 117025776

IUPAC[4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine
SMILESCc1cc(C)c(N2CCC(C)(C)C(CN)C2)c(C)c1
InChIInChI=1S/C17H28N2/c1-12-8-13(2)16(14(3)9-12)19-7-6-17(4,5)15(10-18)11-19/h8-9,15H,6-7,10-11,18H2,1-5H3
InChIKeyBEGGMMWTTVEAEK-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.42
Rot. Bonds2

About [4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine

[4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine (PubChem CID 117025776) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is [4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine
PubChem CID117025776
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name[4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine
SMILESCc1cc(C)c(N2CCC(C)(C)C(CN)C2)c(C)c1
InChIInChI=1S/C17H28N2/c1-12-8-13(2)16(14(3)9-12)19-7-6-17(4,5)15(10-18)11-19/h8-9,15H,6-7,10-11,18H2,1-5H3
InChIKeyBEGGMMWTTVEAEK-UHFFFAOYSA-N
XLogP3.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine?
The IUPAC name of [4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine (CID 117025776) is [4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine?
The canonical SMILES for [4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine is Cc1cc(C)c(N2CCC(C)(C)C(CN)C2)c(C)c1.
What is the InChIKey of [4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine?
The InChIKey is BEGGMMWTTVEAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-8-13(2)16(14(3)9-12)19-7-6-17(4,5)15(10-18)11-19/h8-9,15H,6-7,10-11,18H2,1-5H3.
What are the key properties of [4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine?
[4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 117025776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).