1-(2,2-dimethylpropyl)piperidine-4-carbaldehyde

C11H21NO — CID 59337716

IUPAC1-(2,2-dimethylpropyl)piperidine-4-carbaldehyde
SMILESCC(C)(C)CN1CCC(C=O)CC1
InChIInChI=1S/C11H21NO/c1-11(2,3)9-12-6-4-10(8-13)5-7-12/h8,10H,4-7,9H2,1-3H3
InChIKeyOXGHOIISYJHFOV-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds2

About 1-(2,2-dimethylpropyl)piperidine-4-carbaldehyde

1-(2,2-dimethylpropyl)piperidine-4-carbaldehyde (PubChem CID 59337716) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)piperidine-4-carbaldehyde
PubChem CID59337716
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(2,2-dimethylpropyl)piperidine-4-carbaldehyde
SMILESCC(C)(C)CN1CCC(C=O)CC1
InChIInChI=1S/C11H21NO/c1-11(2,3)9-12-6-4-10(8-13)5-7-12/h8,10H,4-7,9H2,1-3H3
InChIKeyOXGHOIISYJHFOV-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methylpiperidine-4-carbaldehyde
CID 12535228
(1-Methylpiperidin-4-yl)acetaldehyde
CID 21666286
1-(2-Methoxyethyl)piperidine-4-carbaldehyde
CID 17893954
1-Acetylpiperidine-4-carbaldehyde
CID 18428037
1-Ethylpiperidine-4-carbaldehyde
CID 20613249
1-Cyclopentylpiperidine-4-carbaldehyde
CID 57588924
1-Cyclohexylpiperidine-4-carbaldehyde
CID 62654283
1-(2-Methylpropyl)piperidine-4-carbaldehyde
CID 62655908
1-(Cyclopropylmethyl)piperidine-4-carbaldehyde
CID 62656102
1-Cyclopropylpiperidine-4-carbaldehyde
CID 83905090
1-Cyclobutyl-4-piperidinecarboxaldehyde
CID 84765312
2,2-Dimethyl-3-(piperidin-1-yl)propanal
CID 3135970

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(2,2-dimethylpropyl)piperidine-4-carbaldehyde (CID 59337716) is 1-(2,2-dimethylpropyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(2,2-dimethylpropyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(2,2-dimethylpropyl)piperidine-4-carbaldehyde is CC(C)(C)CN1CCC(C=O)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)piperidine-4-carbaldehyde?
The InChIKey is OXGHOIISYJHFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)9-12-6-4-10(8-13)5-7-12/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)piperidine-4-carbaldehyde?
1-(2,2-dimethylpropyl)piperidine-4-carbaldehyde has a molecular weight of 183.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 59337716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).