(2R,4S,5S)-4-(2-aminoethyl)-1,2,5-trimethylpiperidin-4-ol

C10H22N2O — CID 98110141

IUPAC(2R,4S,5S)-4-(2-aminoethyl)-1,2,5-trimethylpiperidin-4-ol
SMILESC[C@@H]1C[C@@](O)(CCN)[C@@H](C)CN1C
InChIInChI=1S/C10H22N2O/c1-8-7-12(3)9(2)6-10(8,13)4-5-11/h8-9,13H,4-7,11H2,1-3H3/t8-,9+,10-/m0/s1
InChIKeyDAWYGKVEFAQSQF-AEJSXWLSSA-N
MW186.30 g/mol
LogP0.43
Rot. Bonds2

About (2R,4S,5S)-4-(2-aminoethyl)-1,2,5-trimethylpiperidin-4-ol

(2R,4S,5S)-4-(2-aminoethyl)-1,2,5-trimethylpiperidin-4-ol (PubChem CID 98110141) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2R,4S,5S)-4-(2-aminoethyl)-1,2,5-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name(2R,4S,5S)-4-(2-aminoethyl)-1,2,5-trimethylpiperidin-4-ol
PubChem CID98110141
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2R,4S,5S)-4-(2-aminoethyl)-1,2,5-trimethylpiperidin-4-ol
SMILESC[C@@H]1C[C@@](O)(CCN)[C@@H](C)CN1C
InChIInChI=1S/C10H22N2O/c1-8-7-12(3)9(2)6-10(8,13)4-5-11/h8-9,13H,4-7,11H2,1-3H3/t8-,9+,10-/m0/s1
InChIKeyDAWYGKVEFAQSQF-AEJSXWLSSA-N
XLogP0.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-4-(2-aminoethyl)-1,2,5-trimethylpiperidin-4-ol?
The IUPAC name of (2R,4S,5S)-4-(2-aminoethyl)-1,2,5-trimethylpiperidin-4-ol (CID 98110141) is (2R,4S,5S)-4-(2-aminoethyl)-1,2,5-trimethylpiperidin-4-ol.
What is the SMILES notation for (2R,4S,5S)-4-(2-aminoethyl)-1,2,5-trimethylpiperidin-4-ol?
The canonical SMILES for (2R,4S,5S)-4-(2-aminoethyl)-1,2,5-trimethylpiperidin-4-ol is C[C@@H]1C[C@@](O)(CCN)[C@@H](C)CN1C.
What is the InChIKey of (2R,4S,5S)-4-(2-aminoethyl)-1,2,5-trimethylpiperidin-4-ol?
The InChIKey is DAWYGKVEFAQSQF-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8-7-12(3)9(2)6-10(8,13)4-5-11/h8-9,13H,4-7,11H2,1-3H3/t8-,9+,10-/m0/s1.
What are the key properties of (2R,4S,5S)-4-(2-aminoethyl)-1,2,5-trimethylpiperidin-4-ol?
(2R,4S,5S)-4-(2-aminoethyl)-1,2,5-trimethylpiperidin-4-ol has a molecular weight of 186.30 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-4-(2-aminoethyl)-1,2,5-trimethylpiperidin-4-ol is sourced from PubChem (CID 98110141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).