4,4-dimethyl-1-piperidin-3-ylpentan-3-one

C12H23NO — CID 116562310

IUPAC4,4-dimethyl-1-piperidin-3-ylpentan-3-one
SMILESCC(C)(C)C(=O)CCC1CCCNC1
InChIInChI=1S/C12H23NO/c1-12(2,3)11(14)7-6-10-5-4-8-13-9-10/h10,13H,4-9H2,1-3H3
InChIKeyMZDOVACAPIIERT-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.38
Rot. Bonds3

About 4,4-dimethyl-1-piperidin-3-ylpentan-3-one

4,4-dimethyl-1-piperidin-3-ylpentan-3-one (PubChem CID 116562310) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4,4-dimethyl-1-piperidin-3-ylpentan-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-piperidin-3-ylpentan-3-one
PubChem CID116562310
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4,4-dimethyl-1-piperidin-3-ylpentan-3-one
SMILESCC(C)(C)C(=O)CCC1CCCNC1
InChIInChI=1S/C12H23NO/c1-12(2,3)11(14)7-6-10-5-4-8-13-9-10/h10,13H,4-9H2,1-3H3
InChIKeyMZDOVACAPIIERT-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Ditertiarybutylpiperidine-4-one
CID 59253684
2,2-Dimethyl-3-(piperidin-3-yl)propanamide
CID 119057117
1-Piperidin-3-ylpropan-1-one
CID 45791038
3-Azaspiro[5.5]undecan-9-one hydrochloride
CID 67315842
1-(Piperidin-4-yl)propan-2-one
CID 3019492
3-Azaspiro[5.5]undecan-8-one
CID 59929925
3,3-Dimethyl-1-(piperidin-2-yl)butan-2-one
CID 67991373
3-Methyl-1-(piperidin-2-yl)butan-2-one
CID 79536820
2,6-Ditert-butyl-3-methylpiperidin-4-one
CID 76311861
1-(4-Piperidyl)acetone hydrochloride
CID 3019491
3-Azaspiro[5.5]undecan-9-one
CID 59047399
1-(4-Fluoropiperidin-4-yl)hexan-1-one
CID 66633547

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-piperidin-3-ylpentan-3-one?
The IUPAC name of 4,4-dimethyl-1-piperidin-3-ylpentan-3-one (CID 116562310) is 4,4-dimethyl-1-piperidin-3-ylpentan-3-one.
What is the SMILES notation for 4,4-dimethyl-1-piperidin-3-ylpentan-3-one?
The canonical SMILES for 4,4-dimethyl-1-piperidin-3-ylpentan-3-one is CC(C)(C)C(=O)CCC1CCCNC1.
What is the InChIKey of 4,4-dimethyl-1-piperidin-3-ylpentan-3-one?
The InChIKey is MZDOVACAPIIERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,3)11(14)7-6-10-5-4-8-13-9-10/h10,13H,4-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-piperidin-3-ylpentan-3-one?
4,4-dimethyl-1-piperidin-3-ylpentan-3-one has a molecular weight of 197.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-piperidin-3-ylpentan-3-one is sourced from PubChem (CID 116562310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).