[(2S,4R)-4-methylpiperidin-2-yl]methanamine

C7H16N2 — CID 122163913

IUPAC[(2S,4R)-4-methylpiperidin-2-yl]methanamine
SMILESC[C@@H]1CCN[C@H](CN)C1
InChIInChI=1S/C7H16N2/c1-6-2-3-9-7(4-6)5-8/h6-7,9H,2-5,8H2,1H3/t6-,7+/m1/s1
InChIKeyRLOLMRDUFXPXRJ-RQJHMYQMSA-N
MW128.22 g/mol
LogP0.33
Rot. Bonds1

About [(2S,4R)-4-methylpiperidin-2-yl]methanamine

[(2S,4R)-4-methylpiperidin-2-yl]methanamine (PubChem CID 122163913) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is [(2S,4R)-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4R)-4-methylpiperidin-2-yl]methanamine
PubChem CID122163913
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name[(2S,4R)-4-methylpiperidin-2-yl]methanamine
SMILESC[C@@H]1CCN[C@H](CN)C1
InChIInChI=1S/C7H16N2/c1-6-2-3-9-7(4-6)5-8/h6-7,9H,2-5,8H2,1H3/t6-,7+/m1/s1
InChIKeyRLOLMRDUFXPXRJ-RQJHMYQMSA-N
XLogP0.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [(2S,4R)-4-methylpiperidin-2-yl]methanamine (CID 122163913) is [(2S,4R)-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [(2S,4R)-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [(2S,4R)-4-methylpiperidin-2-yl]methanamine is C[C@@H]1CCN[C@H](CN)C1.
What is the InChIKey of [(2S,4R)-4-methylpiperidin-2-yl]methanamine?
The InChIKey is RLOLMRDUFXPXRJ-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H16N2/c1-6-2-3-9-7(4-6)5-8/h6-7,9H,2-5,8H2,1H3/t6-,7+/m1/s1.
What are the key properties of [(2S,4R)-4-methylpiperidin-2-yl]methanamine?
[(2S,4R)-4-methylpiperidin-2-yl]methanamine has a molecular weight of 128.22 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 122163913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).