[2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine

C15H24N2 — CID 117020616

IUPAC[2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine
SMILESCc1ccc(N2CCC(CN)CC2(C)C)cc1
InChIInChI=1S/C15H24N2/c1-12-4-6-14(7-5-12)17-9-8-13(11-16)10-15(17,2)3/h4-7,13H,8-11,16H2,1-3H3
InChIKeyQQLKKTONDHSLGL-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.95
Rot. Bonds2

About [2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine

[2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine (PubChem CID 117020616) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is [2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine
PubChem CID117020616
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name[2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine
SMILESCc1ccc(N2CCC(CN)CC2(C)C)cc1
InChIInChI=1S/C15H24N2/c1-12-4-6-14(7-5-12)17-9-8-13(11-16)10-15(17,2)3/h4-7,13H,8-11,16H2,1-3H3
InChIKeyQQLKKTONDHSLGL-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine?
The IUPAC name of [2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine (CID 117020616) is [2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine?
The canonical SMILES for [2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine is Cc1ccc(N2CCC(CN)CC2(C)C)cc1.
What is the InChIKey of [2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine?
The InChIKey is QQLKKTONDHSLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-4-6-14(7-5-12)17-9-8-13(11-16)10-15(17,2)3/h4-7,13H,8-11,16H2,1-3H3.
What are the key properties of [2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine?
[2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 117020616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).