ethane;ethene;piperidin-2-ylmethanol

C10H23NO — CID 143425557

IUPACethane;ethene;piperidin-2-ylmethanol
SMILESC=C.CC.OCC1CCCCN1
InChIInChI=1S/C6H13NO.C2H6.C2H4/c8-5-6-3-1-2-4-7-6;2*1-2/h6-8H,1-5H2;1-2H3;1-2H2
InChIKeyJSHOCPCZFUMKDP-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.95
Rot. Bonds1

About ethane;ethene;piperidin-2-ylmethanol

ethane;ethene;piperidin-2-ylmethanol (PubChem CID 143425557) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is ethane;ethene;piperidin-2-ylmethanol.

Molecular Properties

Compound Nameethane;ethene;piperidin-2-ylmethanol
PubChem CID143425557
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Nameethane;ethene;piperidin-2-ylmethanol
SMILESC=C.CC.OCC1CCCCN1
InChIInChI=1S/C6H13NO.C2H6.C2H4/c8-5-6-3-1-2-4-7-6;2*1-2/h6-8H,1-5H2;1-2H3;1-2H2
InChIKeyJSHOCPCZFUMKDP-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2S)-azepan-2-yl]methanol
CID 870731
hydron;[(2R)-piperidin-2-yl]methanol;chloride
CID 67247102
[(2S)-azepan-2-yl]methanol;hydrochloride
CID 163198382
[(2S)-pyrrolidin-2-yl]methanol;zinc
CID 175136372
2-methylprop-2-enoic acid;piperidin-2-ylmethanol
CID 70536711
1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol
CID 142267909
ethane;2-piperidin-2-ylethanol
CID 91203064
2-[(2S)-piperidin-2-yl]ethanol;hydrochloride
CID 53487138
2-ethylpiperidine;hydrobromide
CID 131717239
ethane;N-methyl-1-piperidin-2-ylmethanamine
CID 144727857
8-ethyl-1,7-diazacyclopentadecane
CID 123357765
pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid
CID 159288961

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;piperidin-2-ylmethanol?
The IUPAC name of ethane;ethene;piperidin-2-ylmethanol (CID 143425557) is ethane;ethene;piperidin-2-ylmethanol.
What is the SMILES notation for ethane;ethene;piperidin-2-ylmethanol?
The canonical SMILES for ethane;ethene;piperidin-2-ylmethanol is C=C.CC.OCC1CCCCN1.
What is the InChIKey of ethane;ethene;piperidin-2-ylmethanol?
The InChIKey is JSHOCPCZFUMKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C2H6.C2H4/c8-5-6-3-1-2-4-7-6;2*1-2/h6-8H,1-5H2;1-2H3;1-2H2.
What are the key properties of ethane;ethene;piperidin-2-ylmethanol?
ethane;ethene;piperidin-2-ylmethanol has a molecular weight of 173.30 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;piperidin-2-ylmethanol is sourced from PubChem (CID 143425557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).