ethane;methane;[(3S)-4-methoxy-1,3-dimethylpiperidin-3-yl]methanol

C12H29NO2 — CID 178038181

IUPACethane;methane;[(3S)-4-methoxy-1,3-dimethylpiperidin-3-yl]methanol
SMILESC.CC.COC1CCN(C)C[C@@]1(C)CO
InChIInChI=1S/C9H19NO2.C2H6.CH4/c1-9(7-11)6-10(2)5-4-8(9)12-3;1-2;/h8,11H,4-7H2,1-3H3;1-2H3;1H4/t8?,9-;;/m0../s1
InChIKeyNRQMYDSRAYQALF-AHBBCRTASA-N
MW219.37 g/mol
LogP2.00
Rot. Bonds2

About ethane;methane;[(3S)-4-methoxy-1,3-dimethylpiperidin-3-yl]methanol

ethane;methane;[(3S)-4-methoxy-1,3-dimethylpiperidin-3-yl]methanol (PubChem CID 178038181) has the molecular formula C12H29NO2 and a molecular weight of 219.37 g/mol. Its IUPAC name is ethane;methane;[(3S)-4-methoxy-1,3-dimethylpiperidin-3-yl]methanol.

Molecular Properties

Compound Nameethane;methane;[(3S)-4-methoxy-1,3-dimethylpiperidin-3-yl]methanol
PubChem CID178038181
Molecular FormulaC12H29NO2
Molecular Weight219.37 g/mol
Exact Mass219.22
IUPAC Nameethane;methane;[(3S)-4-methoxy-1,3-dimethylpiperidin-3-yl]methanol
SMILESC.CC.COC1CCN(C)C[C@@]1(C)CO
InChIInChI=1S/C9H19NO2.C2H6.CH4/c1-9(7-11)6-10(2)5-4-8(9)12-3;1-2;/h8,11H,4-7H2,1-3H3;1-2H3;1H4/t8?,9-;;/m0../s1
InChIKeyNRQMYDSRAYQALF-AHBBCRTASA-N
XLogP2.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-1,3-dimethylpiperidin-3-yl)methanol
CID 18685130
ethane;(1,2,4-trimethylpiperazin-2-yl)methanol
CID 177010134
(1R,6R,7S)-1-methoxy-3-methyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 124526247
(3S,4S)-4-(difluoromethyl)-3-ethyl-1,3-dimethylpiperidine
CID 178181823
O-(3,3-difluoro-1-methylpiperidin-4-yl) methylsulfanylmethanethioate
CID 122533022
[(3S)-1,3-dimethyl-4-methylidenepiperidin-3-yl]methanol
CID 170959154
(3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol
CID 166167558
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 164870168
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 166075423
4-(difluoromethyl)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine
CID 176568410
(3-amino-1-methylpyrrolidin-3-yl)methanol;ethane
CID 171517392
[1-(1-methylpiperidin-4-yl)cyclopropyl]methanol
CID 116963507

Frequently Asked Questions

What is the IUPAC name of ethane;methane;[(3S)-4-methoxy-1,3-dimethylpiperidin-3-yl]methanol?
The IUPAC name of ethane;methane;[(3S)-4-methoxy-1,3-dimethylpiperidin-3-yl]methanol (CID 178038181) is ethane;methane;[(3S)-4-methoxy-1,3-dimethylpiperidin-3-yl]methanol.
What is the SMILES notation for ethane;methane;[(3S)-4-methoxy-1,3-dimethylpiperidin-3-yl]methanol?
The canonical SMILES for ethane;methane;[(3S)-4-methoxy-1,3-dimethylpiperidin-3-yl]methanol is C.CC.COC1CCN(C)C[C@@]1(C)CO.
What is the InChIKey of ethane;methane;[(3S)-4-methoxy-1,3-dimethylpiperidin-3-yl]methanol?
The InChIKey is NRQMYDSRAYQALF-AHBBCRTASA-N. The full InChI is InChI=1S/C9H19NO2.C2H6.CH4/c1-9(7-11)6-10(2)5-4-8(9)12-3;1-2;/h8,11H,4-7H2,1-3H3;1-2H3;1H4/t8?,9-;;/m0../s1.
What are the key properties of ethane;methane;[(3S)-4-methoxy-1,3-dimethylpiperidin-3-yl]methanol?
ethane;methane;[(3S)-4-methoxy-1,3-dimethylpiperidin-3-yl]methanol has a molecular weight of 219.37 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;[(3S)-4-methoxy-1,3-dimethylpiperidin-3-yl]methanol is sourced from PubChem (CID 178038181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).