(Z)-5-piperidin-3-ylpent-3-enal

C10H17NO — CID 117267797

IUPAC(Z)-5-piperidin-3-ylpent-3-enal
SMILESO=CC/C=C\CC1CCCNC1
InChIInChI=1S/C10H17NO/c12-8-3-1-2-5-10-6-4-7-11-9-10/h1-2,8,10-11H,3-7,9H2/b2-1-
InChIKeyMGTXXDUCYFSHOF-UPHRSURJSA-N
MW167.25 g/mol
LogP1.52
Rot. Bonds4

About (Z)-5-piperidin-3-ylpent-3-enal

(Z)-5-piperidin-3-ylpent-3-enal (PubChem CID 117267797) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (Z)-5-piperidin-3-ylpent-3-enal.

Molecular Properties

Compound Name(Z)-5-piperidin-3-ylpent-3-enal
PubChem CID117267797
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(Z)-5-piperidin-3-ylpent-3-enal
SMILESO=CC/C=C\CC1CCCNC1
InChIInChI=1S/C10H17NO/c12-8-3-1-2-5-10-6-4-7-11-9-10/h1-2,8,10-11H,3-7,9H2/b2-1-
InChIKeyMGTXXDUCYFSHOF-UPHRSURJSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
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

(Z)-4-piperidin-3-ylbut-3-enal
CID 117267528
3-(3-phenylprop-2-enyl)piperidine
CID 141263506
3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine
CID 143938977
2-(3-methylazocan-5-yl)acetaldehyde
CID 170064553
piperidin-3-ylmethanol
CID 161361606
(3R)-3-(cyclopentylmethyl)piperidine
CID 94379259
N-oxo-2-piperidin-3-ylacetamide
CID 163768787
piperidin-3-ylmethanamine;trihydrochloride
CID 69122569
S-methyl 2-piperidin-3-ylethanethioate
CID 117125822
2-(piperidin-3-ylmethyl)prop-2-enoic acid
CID 117266961
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine
CID 142000853

Frequently Asked Questions

What is the IUPAC name of (Z)-5-piperidin-3-ylpent-3-enal?
The IUPAC name of (Z)-5-piperidin-3-ylpent-3-enal (CID 117267797) is (Z)-5-piperidin-3-ylpent-3-enal.
What is the SMILES notation for (Z)-5-piperidin-3-ylpent-3-enal?
The canonical SMILES for (Z)-5-piperidin-3-ylpent-3-enal is O=CC/C=C\CC1CCCNC1.
What is the InChIKey of (Z)-5-piperidin-3-ylpent-3-enal?
The InChIKey is MGTXXDUCYFSHOF-UPHRSURJSA-N. The full InChI is InChI=1S/C10H17NO/c12-8-3-1-2-5-10-6-4-7-11-9-10/h1-2,8,10-11H,3-7,9H2/b2-1-.
What are the key properties of (Z)-5-piperidin-3-ylpent-3-enal?
(Z)-5-piperidin-3-ylpent-3-enal has a molecular weight of 167.25 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-piperidin-3-ylpent-3-enal is sourced from PubChem (CID 117267797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).