1-(cyclooctylmethyl)-3-prop-2-enylpiperidin-4-one

C17H29NO — CID 139909547

IUPAC1-(cyclooctylmethyl)-3-prop-2-enylpiperidin-4-one
SMILESC=CCC1CN(CC2CCCCCCC2)CCC1=O
InChIInChI=1S/C17H29NO/c1-2-8-16-14-18(12-11-17(16)19)13-15-9-6-4-3-5-7-10-15/h2,15-16H,1,3-14H2
InChIKeyDEOXQXZVKKAYGT-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.81
Rot. Bonds4

About 1-(cyclooctylmethyl)-3-prop-2-enylpiperidin-4-one

1-(cyclooctylmethyl)-3-prop-2-enylpiperidin-4-one (PubChem CID 139909547) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(cyclooctylmethyl)-3-prop-2-enylpiperidin-4-one.

Molecular Properties

Compound Name1-(cyclooctylmethyl)-3-prop-2-enylpiperidin-4-one
PubChem CID139909547
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(cyclooctylmethyl)-3-prop-2-enylpiperidin-4-one
SMILESC=CCC1CN(CC2CCCCCCC2)CCC1=O
InChIInChI=1S/C17H29NO/c1-2-8-16-14-18(12-11-17(16)19)13-15-9-6-4-3-5-7-10-15/h2,15-16H,1,3-14H2
InChIKeyDEOXQXZVKKAYGT-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclooctylmethyl)-3-prop-2-enylpiperidin-4-one?
The IUPAC name of 1-(cyclooctylmethyl)-3-prop-2-enylpiperidin-4-one (CID 139909547) is 1-(cyclooctylmethyl)-3-prop-2-enylpiperidin-4-one.
What is the SMILES notation for 1-(cyclooctylmethyl)-3-prop-2-enylpiperidin-4-one?
The canonical SMILES for 1-(cyclooctylmethyl)-3-prop-2-enylpiperidin-4-one is C=CCC1CN(CC2CCCCCCC2)CCC1=O.
What is the InChIKey of 1-(cyclooctylmethyl)-3-prop-2-enylpiperidin-4-one?
The InChIKey is DEOXQXZVKKAYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-2-8-16-14-18(12-11-17(16)19)13-15-9-6-4-3-5-7-10-15/h2,15-16H,1,3-14H2.
What are the key properties of 1-(cyclooctylmethyl)-3-prop-2-enylpiperidin-4-one?
1-(cyclooctylmethyl)-3-prop-2-enylpiperidin-4-one has a molecular weight of 263.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclooctylmethyl)-3-prop-2-enylpiperidin-4-one is sourced from PubChem (CID 139909547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).