ethane;(5-methoxypiperidin-2-yl)methanol

C9H21NO2 — CID 156651276

IUPACethane;(5-methoxypiperidin-2-yl)methanol
SMILESCC.COC1CCC(CO)NC1
InChIInChI=1S/C7H15NO2.C2H6/c1-10-7-3-2-6(5-9)8-4-7;1-2/h6-9H,2-5H2,1H3;1-2H3
InChIKeyCMJFFLDWNVYBKK-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.77
Rot. Bonds2

About ethane;(5-methoxypiperidin-2-yl)methanol

ethane;(5-methoxypiperidin-2-yl)methanol (PubChem CID 156651276) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is ethane;(5-methoxypiperidin-2-yl)methanol.

Molecular Properties

Compound Nameethane;(5-methoxypiperidin-2-yl)methanol
PubChem CID156651276
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Nameethane;(5-methoxypiperidin-2-yl)methanol
SMILESCC.COC1CCC(CO)NC1
InChIInChI=1S/C7H15NO2.C2H6/c1-10-7-3-2-6(5-9)8-4-7;1-2/h6-9H,2-5H2,1H3;1-2H3
InChIKeyCMJFFLDWNVYBKK-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6S)-6-Propyl-3-piperidinol
CID 120641
(3R,6S)-6-hydroxymethylpiperidin-3-ol
CID 11062425
2-(Hydroxymethyl)-6-methylpiperidine-3,5-diol
CID 129993370
Pseudo-conhydrine
CID 73805498
2,3-dideoxy-beta-1-C-ethyl-1-deoxygalactonojirimycin
CID 46906932
6-Propylpiperidin-3-ol
CID 4367461
rac-(3R,6R)-6-(hydroxymethyl)piperidin-3-ol hydrochloride
CID 178190282
(3S,6R)-6-propylpiperidin-3-ol
CID 11744749
Pseudoconhydrine, (DL)
CID 230281
CID 69092463
CID 69092463
(2R,3R,4S,5R)-5-ethoxy-2-(hydroxymethyl)piperidine-3,4-diol
CID 15690215
4-Fluoro-2-(hydroxymethyl)piperidine-3,5-diol
CID 15170695

Frequently Asked Questions

What is the IUPAC name of ethane;(5-methoxypiperidin-2-yl)methanol?
The IUPAC name of ethane;(5-methoxypiperidin-2-yl)methanol (CID 156651276) is ethane;(5-methoxypiperidin-2-yl)methanol.
What is the SMILES notation for ethane;(5-methoxypiperidin-2-yl)methanol?
The canonical SMILES for ethane;(5-methoxypiperidin-2-yl)methanol is CC.COC1CCC(CO)NC1.
What is the InChIKey of ethane;(5-methoxypiperidin-2-yl)methanol?
The InChIKey is CMJFFLDWNVYBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C2H6/c1-10-7-3-2-6(5-9)8-4-7;1-2/h6-9H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;(5-methoxypiperidin-2-yl)methanol?
ethane;(5-methoxypiperidin-2-yl)methanol has a molecular weight of 175.27 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5-methoxypiperidin-2-yl)methanol is sourced from PubChem (CID 156651276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).