(Z)-5-(1-propan-2-ylpiperidin-4-yl)pent-3-enal

C13H23NO — CID 117267482

IUPAC(Z)-5-(1-propan-2-ylpiperidin-4-yl)pent-3-enal
SMILESCC(C)N1CCC(C/C=C\CC=O)CC1
InChIInChI=1S/C13H23NO/c1-12(2)14-9-7-13(8-10-14)6-4-3-5-11-15/h3-4,11-13H,5-10H2,1-2H3/b4-3-
InChIKeyGJBINUCZXUWDHJ-ARJAWSKDSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds5

About (Z)-5-(1-propan-2-ylpiperidin-4-yl)pent-3-enal

(Z)-5-(1-propan-2-ylpiperidin-4-yl)pent-3-enal (PubChem CID 117267482) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (Z)-5-(1-propan-2-ylpiperidin-4-yl)pent-3-enal.

Molecular Properties

Compound Name(Z)-5-(1-propan-2-ylpiperidin-4-yl)pent-3-enal
PubChem CID117267482
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(Z)-5-(1-propan-2-ylpiperidin-4-yl)pent-3-enal
SMILESCC(C)N1CCC(C/C=C\CC=O)CC1
InChIInChI=1S/C13H23NO/c1-12(2)14-9-7-13(8-10-14)6-4-3-5-11-15/h3-4,11-13H,5-10H2,1-2H3/b4-3-
InChIKeyGJBINUCZXUWDHJ-ARJAWSKDSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-propan-2-ylpiperidin-4-yl)propanal
CID 83906803
2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde
CID 84763666
2-[(1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enal
CID 117266767
4-(1-propan-2-ylpiperidin-4-yl)but-2-ynal
CID 117265471
methyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate
CID 117267442
3-[(Z)-3-isocyanatoprop-2-enyl]-1-propan-2-ylpyrrolidine
CID 117267015
(Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-enal
CID 117267636
methyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-2-enoate
CID 117266138
2-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde
CID 115082481
N-(methylsulfonimidoyl)-1-(1-propan-2-ylpiperidin-4-yl)methanamine
CID 166562016
3-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-2-sulfonyl chloride
CID 117266527
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(1-propan-2-ylpiperidin-4-yl)pent-3-enal?
The IUPAC name of (Z)-5-(1-propan-2-ylpiperidin-4-yl)pent-3-enal (CID 117267482) is (Z)-5-(1-propan-2-ylpiperidin-4-yl)pent-3-enal.
What is the SMILES notation for (Z)-5-(1-propan-2-ylpiperidin-4-yl)pent-3-enal?
The canonical SMILES for (Z)-5-(1-propan-2-ylpiperidin-4-yl)pent-3-enal is CC(C)N1CCC(C/C=C\CC=O)CC1.
What is the InChIKey of (Z)-5-(1-propan-2-ylpiperidin-4-yl)pent-3-enal?
The InChIKey is GJBINUCZXUWDHJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H23NO/c1-12(2)14-9-7-13(8-10-14)6-4-3-5-11-15/h3-4,11-13H,5-10H2,1-2H3/b4-3-.
What are the key properties of (Z)-5-(1-propan-2-ylpiperidin-4-yl)pent-3-enal?
(Z)-5-(1-propan-2-ylpiperidin-4-yl)pent-3-enal has a molecular weight of 209.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(1-propan-2-ylpiperidin-4-yl)pent-3-enal is sourced from PubChem (CID 117267482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).