piperidine-1-carbaldehyde;prop-1-ene

C9H17NO — CID 145368604

IUPACpiperidine-1-carbaldehyde;prop-1-ene
SMILESC=CC.O=CN1CCCCC1
InChIInChI=1S/C6H11NO.C3H6/c8-6-7-4-2-1-3-5-7;1-3-2/h6H,1-5H2;3H,1H2,2H3
InChIKeyFOSWLORASXHKMW-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.82
Rot. Bonds1

About piperidine-1-carbaldehyde;prop-1-ene

piperidine-1-carbaldehyde;prop-1-ene (PubChem CID 145368604) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is piperidine-1-carbaldehyde;prop-1-ene.

Molecular Properties

Compound Namepiperidine-1-carbaldehyde;prop-1-ene
PubChem CID145368604
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Namepiperidine-1-carbaldehyde;prop-1-ene
SMILESC=CC.O=CN1CCCCC1
InChIInChI=1S/C6H11NO.C3H6/c8-6-7-4-2-1-3-5-7;1-3-2/h6H,1-5H2;3H,1H2,2H3
InChIKeyFOSWLORASXHKMW-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;piperidine-1-carbaldehyde;propane
CID 170585838
1,7-diazacyclododecane-1-carbaldehyde
CID 123495230
1-methoxypropane;piperidine-1-carbaldehyde
CID 142366612
cyclobutane;ethane;prop-1-ene
CID 142065281
dimethyl sulfate;pyrrolidine-1-carbaldehyde
CID 88629483
1-[(E)-prop-1-enyl]piperidine
CID 5463479
1-ethenylpiperidine;hydrazine
CID 159894800
butan-1-ol;pyrrolidine-1-carbaldehyde
CID 161098245
benzene;1-ethenylazonane
CID 175300196
acetaldehyde;prop-1-ene
CID 157049777
4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde
CID 3246248
bis(1-ethenylpyrrolidine);hydrogen peroxide
CID 90220929

Frequently Asked Questions

What is the IUPAC name of piperidine-1-carbaldehyde;prop-1-ene?
The IUPAC name of piperidine-1-carbaldehyde;prop-1-ene (CID 145368604) is piperidine-1-carbaldehyde;prop-1-ene.
What is the SMILES notation for piperidine-1-carbaldehyde;prop-1-ene?
The canonical SMILES for piperidine-1-carbaldehyde;prop-1-ene is C=CC.O=CN1CCCCC1.
What is the InChIKey of piperidine-1-carbaldehyde;prop-1-ene?
The InChIKey is FOSWLORASXHKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C3H6/c8-6-7-4-2-1-3-5-7;1-3-2/h6H,1-5H2;3H,1H2,2H3.
What are the key properties of piperidine-1-carbaldehyde;prop-1-ene?
piperidine-1-carbaldehyde;prop-1-ene has a molecular weight of 155.24 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1-carbaldehyde;prop-1-ene is sourced from PubChem (CID 145368604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).