1-(1-prop-1-en-2-ylpiperidin-4-yl)ethanone

C10H17NO — CID 89174188

IUPAC1-(1-prop-1-en-2-ylpiperidin-4-yl)ethanone
SMILESC=C(C)N1CCC(C(C)=O)CC1
InChIInChI=1S/C10H17NO/c1-8(2)11-6-4-10(5-7-11)9(3)12/h10H,1,4-7H2,2-3H3
InChIKeyVNXQSHGNIRVSKV-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.82
Rot. Bonds2

About 1-(1-prop-1-en-2-ylpiperidin-4-yl)ethanone

1-(1-prop-1-en-2-ylpiperidin-4-yl)ethanone (PubChem CID 89174188) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(1-prop-1-en-2-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-prop-1-en-2-ylpiperidin-4-yl)ethanone
PubChem CID89174188
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(1-prop-1-en-2-ylpiperidin-4-yl)ethanone
SMILESC=C(C)N1CCC(C(C)=O)CC1
InChIInChI=1S/C10H17NO/c1-8(2)11-6-4-10(5-7-11)9(3)12/h10H,1,4-7H2,2-3H3
InChIKeyVNXQSHGNIRVSKV-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-1-en-2-ylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(1-prop-1-en-2-ylpiperidin-4-yl)ethanone (CID 89174188) is 1-(1-prop-1-en-2-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(1-prop-1-en-2-ylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(1-prop-1-en-2-ylpiperidin-4-yl)ethanone is C=C(C)N1CCC(C(C)=O)CC1.
What is the InChIKey of 1-(1-prop-1-en-2-ylpiperidin-4-yl)ethanone?
The InChIKey is VNXQSHGNIRVSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)11-6-4-10(5-7-11)9(3)12/h10H,1,4-7H2,2-3H3.
What are the key properties of 1-(1-prop-1-en-2-ylpiperidin-4-yl)ethanone?
1-(1-prop-1-en-2-ylpiperidin-4-yl)ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-1-en-2-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 89174188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).