(2S,4R,6S)-2-methyl-6-pyridin-4-ylpiperidin-4-amine

C11H17N3 — CID 82656345

IUPAC(2S,4R,6S)-2-methyl-6-pyridin-4-ylpiperidin-4-amine
SMILESC[C@H]1C[C@@H](N)C[C@@H](c2ccncc2)N1
InChIInChI=1S/C11H17N3/c1-8-6-10(12)7-11(14-8)9-2-4-13-5-3-9/h2-5,8,10-11,14H,6-7,12H2,1H3/t8-,10+,11-/m0/s1
InChIKeySFFYGJSJGITYPS-GDPRMGEGSA-N
MW191.28 g/mol
LogP1.22
Rot. Bonds1

About (2S,4R,6S)-2-methyl-6-pyridin-4-ylpiperidin-4-amine

(2S,4R,6S)-2-methyl-6-pyridin-4-ylpiperidin-4-amine (PubChem CID 82656345) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (2S,4R,6S)-2-methyl-6-pyridin-4-ylpiperidin-4-amine.

Molecular Properties

Compound Name(2S,4R,6S)-2-methyl-6-pyridin-4-ylpiperidin-4-amine
PubChem CID82656345
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(2S,4R,6S)-2-methyl-6-pyridin-4-ylpiperidin-4-amine
SMILESC[C@H]1C[C@@H](N)C[C@@H](c2ccncc2)N1
InChIInChI=1S/C11H17N3/c1-8-6-10(12)7-11(14-8)9-2-4-13-5-3-9/h2-5,8,10-11,14H,6-7,12H2,1H3/t8-,10+,11-/m0/s1
InChIKeySFFYGJSJGITYPS-GDPRMGEGSA-N
XLogP1.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,6S)-2-methyl-6-pyridin-4-ylpiperidin-4-amine?
The IUPAC name of (2S,4R,6S)-2-methyl-6-pyridin-4-ylpiperidin-4-amine (CID 82656345) is (2S,4R,6S)-2-methyl-6-pyridin-4-ylpiperidin-4-amine.
What is the SMILES notation for (2S,4R,6S)-2-methyl-6-pyridin-4-ylpiperidin-4-amine?
The canonical SMILES for (2S,4R,6S)-2-methyl-6-pyridin-4-ylpiperidin-4-amine is C[C@H]1C[C@@H](N)C[C@@H](c2ccncc2)N1.
What is the InChIKey of (2S,4R,6S)-2-methyl-6-pyridin-4-ylpiperidin-4-amine?
The InChIKey is SFFYGJSJGITYPS-GDPRMGEGSA-N. The full InChI is InChI=1S/C11H17N3/c1-8-6-10(12)7-11(14-8)9-2-4-13-5-3-9/h2-5,8,10-11,14H,6-7,12H2,1H3/t8-,10+,11-/m0/s1.
What are the key properties of (2S,4R,6S)-2-methyl-6-pyridin-4-ylpiperidin-4-amine?
(2S,4R,6S)-2-methyl-6-pyridin-4-ylpiperidin-4-amine has a molecular weight of 191.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6S)-2-methyl-6-pyridin-4-ylpiperidin-4-amine is sourced from PubChem (CID 82656345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).