(E)-1-piperidin-4-ylpent-3-en-1-one

C10H17NO — CID 20735217

IUPAC(E)-1-piperidin-4-ylpent-3-en-1-one
SMILESC/C=C/CC(=O)C1CCNCC1
InChIInChI=1S/C10H17NO/c1-2-3-4-10(12)9-5-7-11-8-6-9/h2-3,9,11H,4-8H2,1H3/b3-2+
InChIKeyPXYYRMQVIKJVFU-NSCUHMNNSA-N
MW167.25 g/mol
LogP1.52
Rot. Bonds3

About (E)-1-piperidin-4-ylpent-3-en-1-one

(E)-1-piperidin-4-ylpent-3-en-1-one (PubChem CID 20735217) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (E)-1-piperidin-4-ylpent-3-en-1-one.

Molecular Properties

Compound Name(E)-1-piperidin-4-ylpent-3-en-1-one
PubChem CID20735217
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(E)-1-piperidin-4-ylpent-3-en-1-one
SMILESC/C=C/CC(=O)C1CCNCC1
InChIInChI=1S/C10H17NO/c1-2-3-4-10(12)9-5-7-11-8-6-9/h2-3,9,11H,4-8H2,1H3/b3-2+
InChIKeyPXYYRMQVIKJVFU-NSCUHMNNSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Prop-2-enylpiperidin-3-one
CID 55300422
(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methyl-1-piperidin-4-ylhexa-2,4-dien-1-one
CID 142137775
(3Z,5E)-5-fluoro-2-methylidene-1-piperidin-4-ylhepta-3,5-dien-1-one
CID 143923274
2-Methyl-1-(piperidin-4-yl)prop-2-en-1-one
CID 116547599
2-(2,3-Difluorocyclohepta-1,3,6-trien-1-yl)-1-piperidin-4-ylethanone
CID 142816297
3-Prop-2-enylpiperidin-4-one
CID 11815441
5-(Ethylaminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 18320221
1-(Piperidin-4-yl)but-3-en-1-one
CID 20735215
1-Piperidin-4-ylpent-4-en-1-one
CID 20735218
3-Methyl-1-piperidin-4-ylbut-3-en-1-one
CID 20735305
3-Methyl-3-prop-2-enylpiperidin-4-one
CID 21652418
6-[2-(Ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one
CID 54181636

Frequently Asked Questions

What is the IUPAC name of (E)-1-piperidin-4-ylpent-3-en-1-one?
The IUPAC name of (E)-1-piperidin-4-ylpent-3-en-1-one (CID 20735217) is (E)-1-piperidin-4-ylpent-3-en-1-one.
What is the SMILES notation for (E)-1-piperidin-4-ylpent-3-en-1-one?
The canonical SMILES for (E)-1-piperidin-4-ylpent-3-en-1-one is C/C=C/CC(=O)C1CCNCC1.
What is the InChIKey of (E)-1-piperidin-4-ylpent-3-en-1-one?
The InChIKey is PXYYRMQVIKJVFU-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-4-10(12)9-5-7-11-8-6-9/h2-3,9,11H,4-8H2,1H3/b3-2+.
What are the key properties of (E)-1-piperidin-4-ylpent-3-en-1-one?
(E)-1-piperidin-4-ylpent-3-en-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-piperidin-4-ylpent-3-en-1-one is sourced from PubChem (CID 20735217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).