(2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol

C11H24N2O — CID 124526610

IUPAC(2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol
SMILESC[C@H](O)CN[C@@H]1C[C@@H](C)N(C)C[C@@H]1C
InChIInChI=1S/C11H24N2O/c1-8-7-13(4)9(2)5-11(8)12-6-10(3)14/h8-12,14H,5-7H2,1-4H3/t8-,9+,10-,11+/m0/s1
InChIKeyIOZAKVVUHSCGGL-ZRUFSTJUSA-N
MW200.33 g/mol
LogP0.69
Rot. Bonds3

About (2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol

(2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol (PubChem CID 124526610) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol
PubChem CID124526610
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol
SMILESC[C@H](O)CN[C@@H]1C[C@@H](C)N(C)C[C@@H]1C
InChIInChI=1S/C11H24N2O/c1-8-7-13(4)9(2)5-11(8)12-6-10(3)14/h8-12,14H,5-7H2,1-4H3/t8-,9+,10-,11+/m0/s1
InChIKeyIOZAKVVUHSCGGL-ZRUFSTJUSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906573
3-ethyl-1-[(1,2,5-trimethylpiperidin-4-yl)amino]pentan-2-ol
CID 103783038
(2S)-1-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol
CID 103906633
(1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
CID 124739387
2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
CID 93258534
(2R)-2-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-1-ol
CID 124526611
(2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906380
(2R,4R,5R)-1,2,5-trimethyl-N-propan-2-ylpiperidin-4-amine
CID 93258428
2-[(1,2,5-trimethylpiperidin-4-yl)amino]acetamide
CID 43665297
N',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
CID 5149120
3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol
CID 79254544
(2R,4S,5R)-N-cyclopentyl-1,2,5-trimethylpiperidin-4-amine
CID 93258430

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol (CID 124526610) is (2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol is C[C@H](O)CN[C@@H]1C[C@@H](C)N(C)C[C@@H]1C.
What is the InChIKey of (2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol?
The InChIKey is IOZAKVVUHSCGGL-ZRUFSTJUSA-N. The full InChI is InChI=1S/C11H24N2O/c1-8-7-13(4)9(2)5-11(8)12-6-10(3)14/h8-12,14H,5-7H2,1-4H3/t8-,9+,10-,11+/m0/s1.
What are the key properties of (2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol?
(2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 124526610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).