ethane;piperidine-3-carbaldehyde;propane

C11H25NO — CID 145347088

IUPACethane;piperidine-3-carbaldehyde;propane
SMILESCC.CCC.O=CC1CCCNC1
InChIInChI=1S/C6H11NO.C3H8.C2H6/c8-5-6-2-1-3-7-4-6;1-3-2;1-2/h5-7H,1-4H2;3H2,1-2H3;1-2H3
InChIKeyQEAVDPSFOUPBAD-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.63
Rot. Bonds1

About ethane;piperidine-3-carbaldehyde;propane

ethane;piperidine-3-carbaldehyde;propane (PubChem CID 145347088) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;piperidine-3-carbaldehyde;propane.

Molecular Properties

Compound Nameethane;piperidine-3-carbaldehyde;propane
PubChem CID145347088
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;piperidine-3-carbaldehyde;propane
SMILESCC.CCC.O=CC1CCCNC1
InChIInChI=1S/C6H11NO.C3H8.C2H6/c8-5-6-2-1-3-7-4-6;1-3-2;1-2/h5-7H,1-4H2;3H2,1-2H3;1-2H3
InChIKeyQEAVDPSFOUPBAD-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.63
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

(3R)-piperidine-3-carbaldehyde;dihydrochloride
CID 138683513
(Z)-4-piperidin-3-ylbut-3-enal
CID 117267528
3-[(E)-2-methylbut-1-enyl]piperidine
CID 126845848
3-[(E)-3-methylbut-1-enyl]piperidine
CID 126845322
2-piperidin-3-ylethenol
CID 143898593
4-methylideneazepane-3-carbaldehyde;propane
CID 142183855
cyclohexanecarbaldehyde;ethane;methanol
CID 144911027
ethane;(3S)-3-methylpiperidine
CID 144634573
cyclobutanecarbaldehyde;ethane;N-methylmethanamine
CID 142148678
piperidin-3-ol;triethylborane
CID 159801081
4-aminoazepane-3-carbaldehyde
CID 174422749
dimethyl(piperidin-3-yl)phosphane;ethane
CID 145388856

Frequently Asked Questions

What is the IUPAC name of ethane;piperidine-3-carbaldehyde;propane?
The IUPAC name of ethane;piperidine-3-carbaldehyde;propane (CID 145347088) is ethane;piperidine-3-carbaldehyde;propane.
What is the SMILES notation for ethane;piperidine-3-carbaldehyde;propane?
The canonical SMILES for ethane;piperidine-3-carbaldehyde;propane is CC.CCC.O=CC1CCCNC1.
What is the InChIKey of ethane;piperidine-3-carbaldehyde;propane?
The InChIKey is QEAVDPSFOUPBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C3H8.C2H6/c8-5-6-2-1-3-7-4-6;1-3-2;1-2/h5-7H,1-4H2;3H2,1-2H3;1-2H3.
What are the key properties of ethane;piperidine-3-carbaldehyde;propane?
ethane;piperidine-3-carbaldehyde;propane has a molecular weight of 187.33 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;piperidine-3-carbaldehyde;propane is sourced from PubChem (CID 145347088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).