ethane;2-piperidin-2-ylethanol

C9H21NO — CID 91203064

IUPACethane;2-piperidin-2-ylethanol
SMILESCC.OCCC1CCCCN1
InChIInChI=1S/C7H15NO.C2H6/c9-6-4-7-3-1-2-5-8-7;1-2/h7-9H,1-6H2;1-2H3
InChIKeyLJCCMCCXFYVMHW-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.54
Rot. Bonds2

About ethane;2-piperidin-2-ylethanol

ethane;2-piperidin-2-ylethanol (PubChem CID 91203064) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is ethane;2-piperidin-2-ylethanol.

Molecular Properties

Compound Nameethane;2-piperidin-2-ylethanol
PubChem CID91203064
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameethane;2-piperidin-2-ylethanol
SMILESCC.OCCC1CCCCN1
InChIInChI=1S/C7H15NO.C2H6/c9-6-4-7-3-1-2-5-8-7;1-2/h7-9H,1-6H2;1-2H3
InChIKeyLJCCMCCXFYVMHW-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-piperidin-2-yl]ethanol;hydrochloride
CID 53487138
2-[ethyl(2-piperidin-2-ylethyl)amino]ethanol
CID 56831632
ethane;ethene;piperidin-2-ylmethanol
CID 143425557
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
azane;2-propylpiperidine
CID 156844924
[(2S)-azepan-2-yl]methanol
CID 870731
2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol
CID 143395873
(2R)-2-(cyclobutylmethyl)piperidine
CID 99737651
ethane;2-propylpyrrolidine
CID 143349498
ethane;(2R)-2-propylpyrrolidine
CID 155717204
[(2S)-azepan-2-yl]methanol;hydrochloride
CID 163198382

Frequently Asked Questions

What is the IUPAC name of ethane;2-piperidin-2-ylethanol?
The IUPAC name of ethane;2-piperidin-2-ylethanol (CID 91203064) is ethane;2-piperidin-2-ylethanol.
What is the SMILES notation for ethane;2-piperidin-2-ylethanol?
The canonical SMILES for ethane;2-piperidin-2-ylethanol is CC.OCCC1CCCCN1.
What is the InChIKey of ethane;2-piperidin-2-ylethanol?
The InChIKey is LJCCMCCXFYVMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c9-6-4-7-3-1-2-5-8-7;1-2/h7-9H,1-6H2;1-2H3.
What are the key properties of ethane;2-piperidin-2-ylethanol?
ethane;2-piperidin-2-ylethanol has a molecular weight of 159.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-piperidin-2-ylethanol is sourced from PubChem (CID 91203064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).