(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C14H29NO2 — CID 8741516

IUPAC(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESC[C@@H]1C[C@H](C)CN(C[C@H](O)COC(C)(C)C)C1
InChIInChI=1S/C14H29NO2/c1-11-6-12(2)8-15(7-11)9-13(16)10-17-14(3,4)5/h11-13,16H,6-10H2,1-5H3/t11-,12+,13-/m0/s1
InChIKeyZBIFCFISTMMDTM-XQQFMLRXSA-N
MW243.39 g/mol
LogP2.14
Rot. Bonds4

About (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 8741516) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID8741516
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESC[C@@H]1C[C@H](C)CN(C[C@H](O)COC(C)(C)C)C1
InChIInChI=1S/C14H29NO2/c1-11-6-12(2)8-15(7-11)9-13(16)10-17-14(3,4)5/h11-13,16H,6-10H2,1-5H3/t11-,12+,13-/m0/s1
InChIKeyZBIFCFISTMMDTM-XQQFMLRXSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol with MolForge

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Related Compounds

1-(2-ethyl-6-methylmorpholin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111116624
1-(4-tert-butylphenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
CID 3415688
1-(3,5-dimethylpiperidin-1-yl)-3-[4-[2-[4-[3-(3,5-dimethylpiperidin-1-yl)-2-hydroxypropoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]propan-2-ol
CID 46901719
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111442666
1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110910993
1-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 48966438
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111116658
(2S)-1-(3,5-dimethylphenoxy)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 93325171
(2S)-1-[2-(4-tert-butylphenoxy)ethoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 51422962
(2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 42559881
1-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110012066
1-(3,5-dimethylpiperidin-1-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 3415680

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 8741516) is (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is C[C@@H]1C[C@H](C)CN(C[C@H](O)COC(C)(C)C)C1.
What is the InChIKey of (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is ZBIFCFISTMMDTM-XQQFMLRXSA-N. The full InChI is InChI=1S/C14H29NO2/c1-11-6-12(2)8-15(7-11)9-13(16)10-17-14(3,4)5/h11-13,16H,6-10H2,1-5H3/t11-,12+,13-/m0/s1.
What are the key properties of (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 8741516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).