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

C11H24N2O — CID 124526611

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

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

(2R)-2-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-1-ol (PubChem CID 124526611) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2R)-2-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-1-ol
PubChem CID124526611
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2R)-2-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-1-ol
SMILESC[C@H](CO)N[C@@H]1C[C@@H](C)N(C)C[C@@H]1C
InChIInChI=1S/C11H24N2O/c1-8-6-13(4)10(3)5-11(8)12-9(2)7-14/h8-12,14H,5-7H2,1-4H3/t8-,9+,10+,11+/m0/s1
InChIKeyKDHJJDXICLPTGG-LNFKQOIKSA-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 (2R)-2-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-1-ol with MolForge

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Related Compounds

3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol
CID 79254544
1,2,5-trimethyl-N-(5-methylhexan-2-yl)piperidin-4-amine
CID 43665462
(2R,4R,5R)-1,2,5-trimethyl-N-propan-2-ylpiperidin-4-amine
CID 93258428
(2S)-1-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906573
(2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol
CID 124526610
N-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine
CID 43677752
2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
CID 93258534
N-(1-cyclohexylethyl)-1,2,5-trimethylpiperidin-4-amine
CID 55069404
N-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide
CID 112700338
1,2,5-trimethyl-N-octan-4-ylpiperidin-4-amine
CID 113262513
N-hex-1-yn-3-yl-1,2,5-trimethylpiperidin-4-amine
CID 106226288
N-[1-(4-ethylphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 43684158

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-1-ol (CID 124526611) is (2R)-2-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-1-ol is C[C@H](CO)N[C@@H]1C[C@@H](C)N(C)C[C@@H]1C.
What is the InChIKey of (2R)-2-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-1-ol?
The InChIKey is KDHJJDXICLPTGG-LNFKQOIKSA-N. The full InChI is InChI=1S/C11H24N2O/c1-8-6-13(4)10(3)5-11(8)12-9(2)7-14/h8-12,14H,5-7H2,1-4H3/t8-,9+,10+,11+/m0/s1.
What are the key properties of (2R)-2-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-1-ol?
(2R)-2-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-1-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 (2R)-2-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 124526611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).