3,3-dimethyl-1-oxidopiperidine

C7H14NO- — CID 87114424

IUPAC3,3-dimethyl-1-oxidopiperidine
SMILESCC1(C)CCCN([O-])C1
InChIInChI=1S/C7H14NO/c1-7(2)4-3-5-8(9)6-7/h3-6H2,1-2H3/q-1
InChIKeyDXKWJUDHZKADBY-UHFFFAOYSA-N
MW128.19 g/mol
LogP1.61
Rot. Bonds

About 3,3-dimethyl-1-oxidopiperidine

3,3-dimethyl-1-oxidopiperidine (PubChem CID 87114424) has the molecular formula C7H14NO- and a molecular weight of 128.19 g/mol. Its IUPAC name is 3,3-dimethyl-1-oxidopiperidine.

Molecular Properties

Compound Name3,3-dimethyl-1-oxidopiperidine
PubChem CID87114424
Molecular FormulaC7H14NO-
Molecular Weight128.19 g/mol
Exact Mass128.11
IUPAC Name3,3-dimethyl-1-oxidopiperidine
SMILESCC1(C)CCCN([O-])C1
InChIInChI=1S/C7H14NO/c1-7(2)4-3-5-8(9)6-7/h3-6H2,1-2H3/q-1
InChIKeyDXKWJUDHZKADBY-UHFFFAOYSA-N
XLogP1.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3,3-dimethylpiperidine
CID 14356856
1,3,3-trimethylazepane
CID 18711354
1-(2-fluoroethyl)-3,3-dimethylpiperidine
CID 131154120
3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine
CID 165121785
[1-(3,3-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661250
1-ethyl-3,3-dimethylazepane
CID 90730492
3,3-dimethyl-1-propan-2-ylazepane
CID 58110344
3-(3,3-dimethylpiperidin-1-yl)prop-2-enoic acid
CID 79896883
(2R)-1-(3,3-dimethylpiperidin-1-yl)propan-2-amine
CID 103934688
N'-hydroxy-3,3-dimethylpiperidine-1-carboximidamide
CID 77016547
3-(3,3-dimethylpiperidin-1-yl)cyclobutan-1-amine
CID 80561996
1,4,4,7,7-pentamethylazecane
CID 137411559

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-oxidopiperidine?
The IUPAC name of 3,3-dimethyl-1-oxidopiperidine (CID 87114424) is 3,3-dimethyl-1-oxidopiperidine.
What is the SMILES notation for 3,3-dimethyl-1-oxidopiperidine?
The canonical SMILES for 3,3-dimethyl-1-oxidopiperidine is CC1(C)CCCN([O-])C1.
What is the InChIKey of 3,3-dimethyl-1-oxidopiperidine?
The InChIKey is DXKWJUDHZKADBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO/c1-7(2)4-3-5-8(9)6-7/h3-6H2,1-2H3/q-1.
What are the key properties of 3,3-dimethyl-1-oxidopiperidine?
3,3-dimethyl-1-oxidopiperidine has a molecular weight of 128.19 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-oxidopiperidine is sourced from PubChem (CID 87114424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).