2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde

C12H21NO2 — CID 89354999

IUPAC2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde
SMILESCC(C)(C)C(=O)N1CCC(CC=O)CC1
InChIInChI=1S/C12H21NO2/c1-12(2,3)11(15)13-7-4-10(5-8-13)6-9-14/h9-10H,4-8H2,1-3H3
InChIKeyYTGOVWAKVAKZAM-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.86
Rot. Bonds2

About 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde

2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde (PubChem CID 89354999) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde
PubChem CID89354999
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde
SMILESCC(C)(C)C(=O)N1CCC(CC=O)CC1
InChIInChI=1S/C12H21NO2/c1-12(2,3)11(15)13-7-4-10(5-8-13)6-9-14/h9-10H,4-8H2,1-3H3
InChIKeyYTGOVWAKVAKZAM-UHFFFAOYSA-N
XLogP1.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.86
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

2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate
CID 169083447
1-[4-(2-hydroxyethyl)azepan-1-yl]-2,2-dimethylpropan-1-one
CID 155951870
3-(2-oxoethyl)pyrrolidine-1-carboxylic acid
CID 123542775
1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 142714451
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 71751710
methyl 4-(2-oxoethyl)azepane-1-carboxylate
CID 83908232
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727093
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119625065
1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112537597
1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile
CID 39239237
2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde
CID 178167886
1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 90493183

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde?
The IUPAC name of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde (CID 89354999) is 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde.
What is the SMILES notation for 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde?
The canonical SMILES for 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde is CC(C)(C)C(=O)N1CCC(CC=O)CC1.
What is the InChIKey of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde?
The InChIKey is YTGOVWAKVAKZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2,3)11(15)13-7-4-10(5-8-13)6-9-14/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde?
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde has a molecular weight of 211.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde is sourced from PubChem (CID 89354999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).