2-methylprop-2-enoic acid;2,2,6,6-tetramethyl-4-piperidin-1-ylpiperidine

C18H34N2O2 — CID 174906027

IUPAC2-methylprop-2-enoic acid;2,2,6,6-tetramethyl-4-piperidin-1-ylpiperidine
SMILESC=C(C)C(=O)O.CC1(C)CC(N2CCCCC2)CC(C)(C)N1
InChIInChI=1S/C14H28N2.C4H6O2/c1-13(2)10-12(11-14(3,4)15-13)16-8-6-5-7-9-16;1-3(2)4(5)6/h12,15H,5-11H2,1-4H3;1H2,2H3,(H,5,6)
InChIKeySGRXHKZBQTVZQY-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.43
Rot. Bonds2

About 2-methylprop-2-enoic acid;2,2,6,6-tetramethyl-4-piperidin-1-ylpiperidine

2-methylprop-2-enoic acid;2,2,6,6-tetramethyl-4-piperidin-1-ylpiperidine (PubChem CID 174906027) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;2,2,6,6-tetramethyl-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;2,2,6,6-tetramethyl-4-piperidin-1-ylpiperidine
PubChem CID174906027
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name2-methylprop-2-enoic acid;2,2,6,6-tetramethyl-4-piperidin-1-ylpiperidine
SMILESC=C(C)C(=O)O.CC1(C)CC(N2CCCCC2)CC(C)(C)N1
InChIInChI=1S/C14H28N2.C4H6O2/c1-13(2)10-12(11-14(3,4)15-13)16-8-6-5-7-9-16;1-3(2)4(5)6/h12,15H,5-11H2,1-4H3;1H2,2H3,(H,5,6)
InChIKeySGRXHKZBQTVZQY-UHFFFAOYSA-N
XLogP3.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexane;2-methylprop-2-enoic acid
CID 66795649
CID 102063381
CID 102063381
1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid
CID 17369286
2-[(3R)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]ethanamine
CID 95559180
4-piperidin-1-yl-1-prop-1-en-2-ylpiperidine
CID 143020701
2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141587
2-methylprop-2-enoic acid;2-piperidin-1-ylacetic acid
CID 174941495
cyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid)
CID 68948425
cycloheptylcycloheptane;2-methylprop-2-enoic acid
CID 22186228
4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 69300951
1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid
CID 175054219
1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one
CID 58870209

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;2,2,6,6-tetramethyl-4-piperidin-1-ylpiperidine?
The IUPAC name of 2-methylprop-2-enoic acid;2,2,6,6-tetramethyl-4-piperidin-1-ylpiperidine (CID 174906027) is 2-methylprop-2-enoic acid;2,2,6,6-tetramethyl-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 2-methylprop-2-enoic acid;2,2,6,6-tetramethyl-4-piperidin-1-ylpiperidine?
The canonical SMILES for 2-methylprop-2-enoic acid;2,2,6,6-tetramethyl-4-piperidin-1-ylpiperidine is C=C(C)C(=O)O.CC1(C)CC(N2CCCCC2)CC(C)(C)N1.
What is the InChIKey of 2-methylprop-2-enoic acid;2,2,6,6-tetramethyl-4-piperidin-1-ylpiperidine?
The InChIKey is SGRXHKZBQTVZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C4H6O2/c1-13(2)10-12(11-14(3,4)15-13)16-8-6-5-7-9-16;1-3(2)4(5)6/h12,15H,5-11H2,1-4H3;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;2,2,6,6-tetramethyl-4-piperidin-1-ylpiperidine?
2-methylprop-2-enoic acid;2,2,6,6-tetramethyl-4-piperidin-1-ylpiperidine has a molecular weight of 310.48 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;2,2,6,6-tetramethyl-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 174906027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).