2-piperidin-4-ylacetaldehyde

C7H13NO — CID 23401441

IUPAC2-piperidin-4-ylacetaldehyde
SMILESO=CCC1CCNCC1
InChIInChI=1S/C7H13NO/c9-6-3-7-1-4-8-5-2-7/h6-8H,1-5H2
InChIKeyUHPODXWWSMJMMM-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.57
Rot. Bonds2

About 2-piperidin-4-ylacetaldehyde

2-piperidin-4-ylacetaldehyde (PubChem CID 23401441) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-piperidin-4-ylacetaldehyde.

Molecular Properties

Compound Name2-piperidin-4-ylacetaldehyde
PubChem CID23401441
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-piperidin-4-ylacetaldehyde
SMILESO=CCC1CCNCC1
InChIInChI=1S/C7H13NO/c9-6-3-7-1-4-8-5-2-7/h6-8H,1-5H2
InChIKeyUHPODXWWSMJMMM-UHFFFAOYSA-N
XLogP0.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-piperidin-4-ylbut-2-en-1-amine
CID 117265742
4-(piperidin-4-ylmethyl)piperidine
CID 14123199
2-amino-3-piperidin-4-ylpropanal
CID 22642524
piperidin-4-ylmethyl formate;hydrochloride
CID 174937459
2-cyclohexylacetaldehyde;rubidium(1+)
CID 59915756
1-piperidin-4-ylbut-3-en-2-one
CID 116559893
N-(chloromethyl)-1-piperidin-4-ylmethanamine
CID 134365297
N-cyclohexyl-N-(piperidin-4-ylmethyl)formamide
CID 173271988
1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea
CID 117234637
2-(oxan-4-yl)acetaldehyde;propane
CID 145213291
3-(pyrrolidin-3-ylmethyl)but-3-enal
CID 117268348
2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde
CID 87141647

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylacetaldehyde?
The IUPAC name of 2-piperidin-4-ylacetaldehyde (CID 23401441) is 2-piperidin-4-ylacetaldehyde.
What is the SMILES notation for 2-piperidin-4-ylacetaldehyde?
The canonical SMILES for 2-piperidin-4-ylacetaldehyde is O=CCC1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylacetaldehyde?
The InChIKey is UHPODXWWSMJMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c9-6-3-7-1-4-8-5-2-7/h6-8H,1-5H2.
What are the key properties of 2-piperidin-4-ylacetaldehyde?
2-piperidin-4-ylacetaldehyde has a molecular weight of 127.19 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylacetaldehyde is sourced from PubChem (CID 23401441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).