(2S,4S,6S)-2-methyl-6-(2-methylphenyl)piperidin-4-amine

C13H20N2 — CID 82659044

IUPAC(2S,4S,6S)-2-methyl-6-(2-methylphenyl)piperidin-4-amine
SMILESCc1ccccc1[C@@H]1C[C@@H](N)C[C@H](C)N1
InChIInChI=1S/C13H20N2/c1-9-5-3-4-6-12(9)13-8-11(14)7-10(2)15-13/h3-6,10-11,13,15H,7-8,14H2,1-2H3/t10-,11-,13-/m0/s1
InChIKeyOHMFPQIRTWFPFZ-GVXVVHGQSA-N
MW204.32 g/mol
LogP2.14
Rot. Bonds1

About (2S,4S,6S)-2-methyl-6-(2-methylphenyl)piperidin-4-amine

(2S,4S,6S)-2-methyl-6-(2-methylphenyl)piperidin-4-amine (PubChem CID 82659044) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (2S,4S,6S)-2-methyl-6-(2-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name(2S,4S,6S)-2-methyl-6-(2-methylphenyl)piperidin-4-amine
PubChem CID82659044
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(2S,4S,6S)-2-methyl-6-(2-methylphenyl)piperidin-4-amine
SMILESCc1ccccc1[C@@H]1C[C@@H](N)C[C@H](C)N1
InChIInChI=1S/C13H20N2/c1-9-5-3-4-6-12(9)13-8-11(14)7-10(2)15-13/h3-6,10-11,13,15H,7-8,14H2,1-2H3/t10-,11-,13-/m0/s1
InChIKeyOHMFPQIRTWFPFZ-GVXVVHGQSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-2-methyl-6-(2-methylphenyl)piperidin-4-amine?
The IUPAC name of (2S,4S,6S)-2-methyl-6-(2-methylphenyl)piperidin-4-amine (CID 82659044) is (2S,4S,6S)-2-methyl-6-(2-methylphenyl)piperidin-4-amine.
What is the SMILES notation for (2S,4S,6S)-2-methyl-6-(2-methylphenyl)piperidin-4-amine?
The canonical SMILES for (2S,4S,6S)-2-methyl-6-(2-methylphenyl)piperidin-4-amine is Cc1ccccc1[C@@H]1C[C@@H](N)C[C@H](C)N1.
What is the InChIKey of (2S,4S,6S)-2-methyl-6-(2-methylphenyl)piperidin-4-amine?
The InChIKey is OHMFPQIRTWFPFZ-GVXVVHGQSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-5-3-4-6-12(9)13-8-11(14)7-10(2)15-13/h3-6,10-11,13,15H,7-8,14H2,1-2H3/t10-,11-,13-/m0/s1.
What are the key properties of (2S,4S,6S)-2-methyl-6-(2-methylphenyl)piperidin-4-amine?
(2S,4S,6S)-2-methyl-6-(2-methylphenyl)piperidin-4-amine has a molecular weight of 204.32 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-2-methyl-6-(2-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 82659044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).