piperidin-4-yl 2-methylprop-2-enoate;2,2,6,6-tetramethylpiperazine

C17H33N3O2 — CID 174862427

IUPACpiperidin-4-yl 2-methylprop-2-enoate;2,2,6,6-tetramethylpiperazine
SMILESC=C(C)C(=O)OC1CCNCC1.CC1(C)CNCC(C)(C)N1
InChIInChI=1S/C9H15NO2.C8H18N2/c1-7(2)9(11)12-8-3-5-10-6-4-8;1-7(2)5-9-6-8(3,4)10-7/h8,10H,1,3-6H2,2H3;9-10H,5-6H2,1-4H3
InChIKeyNSKARVPMDDILMN-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.59
Rot. Bonds2

About piperidin-4-yl 2-methylprop-2-enoate;2,2,6,6-tetramethylpiperazine

piperidin-4-yl 2-methylprop-2-enoate;2,2,6,6-tetramethylpiperazine (PubChem CID 174862427) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is piperidin-4-yl 2-methylprop-2-enoate;2,2,6,6-tetramethylpiperazine.

Molecular Properties

Compound Namepiperidin-4-yl 2-methylprop-2-enoate;2,2,6,6-tetramethylpiperazine
PubChem CID174862427
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Namepiperidin-4-yl 2-methylprop-2-enoate;2,2,6,6-tetramethylpiperazine
SMILESC=C(C)C(=O)OC1CCNCC1.CC1(C)CNCC(C)(C)N1
InChIInChI=1S/C9H15NO2.C8H18N2/c1-7(2)9(11)12-8-3-5-10-6-4-8;1-7(2)5-9-6-8(3,4)10-7/h8,10H,1,3-6H2,2H3;9-10H,5-6H2,1-4H3
InChIKeyNSKARVPMDDILMN-UHFFFAOYSA-N
XLogP1.59
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
ethane;piperidin-4-yl acetate
CID 144574283
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
(1,1,2,2,6,6-hexamethylpiperidin-1-ium-4-yl) 2-methylprop-2-enoate
CID 134380283
[4-[4-(2-methylprop-2-enoyloxy)cyclohexyl]cycloheptyl] 2-methylprop-2-enoate
CID 126595758
(2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate
CID 54028035
(4-ethoxycyclohexyl) 2-methylprop-2-enoate
CID 147130930
dipiperidin-4-yl carbonate
CID 129132812
cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide
CID 174857281
(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl) 2-methylprop-2-enoate
CID 102481533

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 2-methylprop-2-enoate;2,2,6,6-tetramethylpiperazine?
The IUPAC name of piperidin-4-yl 2-methylprop-2-enoate;2,2,6,6-tetramethylpiperazine (CID 174862427) is piperidin-4-yl 2-methylprop-2-enoate;2,2,6,6-tetramethylpiperazine.
What is the SMILES notation for piperidin-4-yl 2-methylprop-2-enoate;2,2,6,6-tetramethylpiperazine?
The canonical SMILES for piperidin-4-yl 2-methylprop-2-enoate;2,2,6,6-tetramethylpiperazine is C=C(C)C(=O)OC1CCNCC1.CC1(C)CNCC(C)(C)N1.
What is the InChIKey of piperidin-4-yl 2-methylprop-2-enoate;2,2,6,6-tetramethylpiperazine?
The InChIKey is NSKARVPMDDILMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.C8H18N2/c1-7(2)9(11)12-8-3-5-10-6-4-8;1-7(2)5-9-6-8(3,4)10-7/h8,10H,1,3-6H2,2H3;9-10H,5-6H2,1-4H3.
What are the key properties of piperidin-4-yl 2-methylprop-2-enoate;2,2,6,6-tetramethylpiperazine?
piperidin-4-yl 2-methylprop-2-enoate;2,2,6,6-tetramethylpiperazine has a molecular weight of 311.47 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 2-methylprop-2-enoate;2,2,6,6-tetramethylpiperazine is sourced from PubChem (CID 174862427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).