3,3-dimethyl-1-piperidin-1-ylbutan-2-one;hydrobromide

C11H22BrNO — CID 3027753

IUPAC3,3-dimethyl-1-piperidin-1-ylbutan-2-one;hydrobromide
SMILESBr.CC(C)(C)C(=O)CN1CCCCC1
InChIInChI=1S/C11H21NO.BrH/c1-11(2,3)10(13)9-12-7-5-4-6-8-12;/h4-9H2,1-3H3;1H
InChIKeySHDBUTSJOIRPII-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.67
Rot. Bonds2

About 3,3-dimethyl-1-piperidin-1-ylbutan-2-one;hydrobromide

3,3-dimethyl-1-piperidin-1-ylbutan-2-one;hydrobromide (PubChem CID 3027753) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 3,3-dimethyl-1-piperidin-1-ylbutan-2-one;hydrobromide.

Molecular Properties

Compound Name3,3-dimethyl-1-piperidin-1-ylbutan-2-one;hydrobromide
PubChem CID3027753
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name3,3-dimethyl-1-piperidin-1-ylbutan-2-one;hydrobromide
SMILESBr.CC(C)(C)C(=O)CN1CCCCC1
InChIInChI=1S/C11H21NO.BrH/c1-11(2,3)10(13)9-12-7-5-4-6-8-12;/h4-9H2,1-3H3;1H
InChIKeySHDBUTSJOIRPII-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-piperidin-1-ylbutan-2-one;hydrobromide?
The IUPAC name of 3,3-dimethyl-1-piperidin-1-ylbutan-2-one;hydrobromide (CID 3027753) is 3,3-dimethyl-1-piperidin-1-ylbutan-2-one;hydrobromide.
What is the SMILES notation for 3,3-dimethyl-1-piperidin-1-ylbutan-2-one;hydrobromide?
The canonical SMILES for 3,3-dimethyl-1-piperidin-1-ylbutan-2-one;hydrobromide is Br.CC(C)(C)C(=O)CN1CCCCC1.
What is the InChIKey of 3,3-dimethyl-1-piperidin-1-ylbutan-2-one;hydrobromide?
The InChIKey is SHDBUTSJOIRPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.BrH/c1-11(2,3)10(13)9-12-7-5-4-6-8-12;/h4-9H2,1-3H3;1H.
What are the key properties of 3,3-dimethyl-1-piperidin-1-ylbutan-2-one;hydrobromide?
3,3-dimethyl-1-piperidin-1-ylbutan-2-one;hydrobromide has a molecular weight of 264.21 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-piperidin-1-ylbutan-2-one;hydrobromide is sourced from PubChem (CID 3027753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).