2-methylprop-2-enoic acid;piperidin-2-ylmethanol

C10H19NO3 — CID 70536711

IUPAC2-methylprop-2-enoic acid;piperidin-2-ylmethanol
SMILESC=C(C)C(=O)O.OCC1CCCCN1
InChIInChI=1S/C6H13NO.C4H6O2/c8-5-6-3-1-2-4-7-6;1-3(2)4(5)6/h6-8H,1-5H2;1H2,2H3,(H,5,6)
InChIKeyLTMNMZNYHCHVRH-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.77
Rot. Bonds2

About 2-methylprop-2-enoic acid;piperidin-2-ylmethanol

2-methylprop-2-enoic acid;piperidin-2-ylmethanol (PubChem CID 70536711) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;piperidin-2-ylmethanol.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;piperidin-2-ylmethanol
PubChem CID70536711
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-methylprop-2-enoic acid;piperidin-2-ylmethanol
SMILESC=C(C)C(=O)O.OCC1CCCCN1
InChIInChI=1S/C6H13NO.C4H6O2/c8-5-6-3-1-2-4-7-6;1-3(2)4(5)6/h6-8H,1-5H2;1H2,2H3,(H,5,6)
InChIKeyLTMNMZNYHCHVRH-UHFFFAOYSA-N
XLogP0.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane;ethene;piperidin-2-ylmethanol
CID 143425557
[(2S)-azepan-2-yl]methanol
CID 870731
[(2S)-azepan-2-yl]methanol;hydrochloride
CID 163198382
hydron;[(2R)-piperidin-2-yl]methanol;chloride
CID 67247102
[(2S)-pyrrolidin-2-yl]methanol;zinc
CID 175136372
pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid
CID 159288961
1-[(2R)-azepan-2-yl]propan-2-one
CID 97048950
acetic acid;2-(2-methylpropyl)pyrrolidine
CID 178163364
2-[(2R)-azepan-2-yl]acetic acid
CID 96634576
1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol
CID 142267909
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid
CID 124547717

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;piperidin-2-ylmethanol?
The IUPAC name of 2-methylprop-2-enoic acid;piperidin-2-ylmethanol (CID 70536711) is 2-methylprop-2-enoic acid;piperidin-2-ylmethanol.
What is the SMILES notation for 2-methylprop-2-enoic acid;piperidin-2-ylmethanol?
The canonical SMILES for 2-methylprop-2-enoic acid;piperidin-2-ylmethanol is C=C(C)C(=O)O.OCC1CCCCN1.
What is the InChIKey of 2-methylprop-2-enoic acid;piperidin-2-ylmethanol?
The InChIKey is LTMNMZNYHCHVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C4H6O2/c8-5-6-3-1-2-4-7-6;1-3(2)4(5)6/h6-8H,1-5H2;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;piperidin-2-ylmethanol?
2-methylprop-2-enoic acid;piperidin-2-ylmethanol has a molecular weight of 201.27 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;piperidin-2-ylmethanol is sourced from PubChem (CID 70536711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).