1-chloro-2,2,5,5-tetramethylimidazolidin-4-one;1-chloro-2,2,6,6-tetramethylpiperidin-4-ol

C16H31Cl2N3O2 — CID 159838908

IUPAC1-chloro-2,2,5,5-tetramethylimidazolidin-4-one;1-chloro-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1Cl.CC1(C)NC(=O)C(C)(C)N1Cl
InChIInChI=1S/C9H18ClNO.C7H13ClN2O/c1-8(2)5-7(12)6-9(3,4)11(8)10;1-6(2)5(11)9-7(3,4)10(6)8/h7,12H,5-6H2,1-4H3;1-4H3,(H,9,11)
InChIKeyNOKWNFPAMBCLAF-UHFFFAOYSA-N
MW368.35 g/mol
LogP3.24
Rot. Bonds

About 1-chloro-2,2,5,5-tetramethylimidazolidin-4-one;1-chloro-2,2,6,6-tetramethylpiperidin-4-ol

1-chloro-2,2,5,5-tetramethylimidazolidin-4-one;1-chloro-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 159838908) has the molecular formula C16H31Cl2N3O2 and a molecular weight of 368.35 g/mol. Its IUPAC name is 1-chloro-2,2,5,5-tetramethylimidazolidin-4-one;1-chloro-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-chloro-2,2,5,5-tetramethylimidazolidin-4-one;1-chloro-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID159838908
Molecular FormulaC16H31Cl2N3O2
Molecular Weight368.35 g/mol
Exact Mass367.18
IUPAC Name1-chloro-2,2,5,5-tetramethylimidazolidin-4-one;1-chloro-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1Cl.CC1(C)NC(=O)C(C)(C)N1Cl
InChIInChI=1S/C9H18ClNO.C7H13ClN2O/c1-8(2)5-7(12)6-9(3,4)11(8)10;1-6(2)5(11)9-7(3,4)10(6)8/h7,12H,5-6H2,1-4H3;1-4H3,(H,9,11)
InChIKeyNOKWNFPAMBCLAF-UHFFFAOYSA-N
XLogP3.24
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,2,5,5-tetramethylimidazolidin-4-one;1-chloro-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-chloro-2,2,5,5-tetramethylimidazolidin-4-one;1-chloro-2,2,6,6-tetramethylpiperidin-4-ol (CID 159838908) is 1-chloro-2,2,5,5-tetramethylimidazolidin-4-one;1-chloro-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-chloro-2,2,5,5-tetramethylimidazolidin-4-one;1-chloro-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-chloro-2,2,5,5-tetramethylimidazolidin-4-one;1-chloro-2,2,6,6-tetramethylpiperidin-4-ol is CC1(C)CC(O)CC(C)(C)N1Cl.CC1(C)NC(=O)C(C)(C)N1Cl.
What is the InChIKey of 1-chloro-2,2,5,5-tetramethylimidazolidin-4-one;1-chloro-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is NOKWNFPAMBCLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO.C7H13ClN2O/c1-8(2)5-7(12)6-9(3,4)11(8)10;1-6(2)5(11)9-7(3,4)10(6)8/h7,12H,5-6H2,1-4H3;1-4H3,(H,9,11).
What are the key properties of 1-chloro-2,2,5,5-tetramethylimidazolidin-4-one;1-chloro-2,2,6,6-tetramethylpiperidin-4-ol?
1-chloro-2,2,5,5-tetramethylimidazolidin-4-one;1-chloro-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 368.35 g/mol, XLogP of 3.24, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,2,5,5-tetramethylimidazolidin-4-one;1-chloro-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 159838908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).