(2R)-1-methoxy-3-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-2-ol

C16H32N2O2 — CID 98764196

IUPAC(2R)-1-methoxy-3-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-2-ol
SMILESCOC[C@H](O)CN1CCC[C@H](CN2CCCC[C@@H]2C)C1
InChIInChI=1S/C16H32N2O2/c1-14-6-3-4-9-18(14)11-15-7-5-8-17(10-15)12-16(19)13-20-2/h14-16,19H,3-13H2,1-2H3/t14-,15-,16+/m0/s1
InChIKeyMONGLGSQUFTSFX-HRCADAONSA-N
MW284.44 g/mol
LogP1.58
Rot. Bonds6

About (2R)-1-methoxy-3-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-2-ol

(2R)-1-methoxy-3-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 98764196) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is (2R)-1-methoxy-3-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-methoxy-3-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-2-ol
PubChem CID98764196
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name(2R)-1-methoxy-3-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-2-ol
SMILESCOC[C@H](O)CN1CCC[C@H](CN2CCCC[C@@H]2C)C1
InChIInChI=1S/C16H32N2O2/c1-14-6-3-4-9-18(14)11-15-7-5-8-17(10-15)12-16(19)13-20-2/h14-16,19H,3-13H2,1-2H3/t14-,15-,16+/m0/s1
InChIKeyMONGLGSQUFTSFX-HRCADAONSA-N
XLogP1.58
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-methoxy-3-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 111165897
(3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol
CID 107226168
1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 110932791
4-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butanoic acid
CID 119135528
1-cyclopentyl-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 103274721
1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110910993
4-amino-3-methoxy-1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 120596115
1-methoxy-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 63929272
1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol
CID 63930667
1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63932403
(3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119867638
(2R)-1-methoxy-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol
CID 129381040

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-3-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-methoxy-3-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-2-ol (CID 98764196) is (2R)-1-methoxy-3-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-methoxy-3-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-methoxy-3-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-2-ol is COC[C@H](O)CN1CCC[C@H](CN2CCCC[C@@H]2C)C1.
What is the InChIKey of (2R)-1-methoxy-3-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is MONGLGSQUFTSFX-HRCADAONSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-14-6-3-4-9-18(14)11-15-7-5-8-17(10-15)12-16(19)13-20-2/h14-16,19H,3-13H2,1-2H3/t14-,15-,16+/m0/s1.
What are the key properties of (2R)-1-methoxy-3-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-2-ol?
(2R)-1-methoxy-3-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 284.44 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-3-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 98764196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).