1-(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)ethanone

C10H18NOP — CID 58683597

IUPAC1-(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)ethanone
SMILESC=CCC1(C(C)=O)CCN(P)CC1
InChIInChI=1S/C10H18NOP/c1-3-4-10(9(2)12)5-7-11(13)8-6-10/h3H,1,4-8,13H2,2H3
InChIKeyNVQWHBBDFQTWMX-UHFFFAOYSA-N
MW199.23 g/mol
LogP2.02
Rot. Bonds3

About 1-(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)ethanone

1-(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)ethanone (PubChem CID 58683597) has the molecular formula C10H18NOP and a molecular weight of 199.23 g/mol. Its IUPAC name is 1-(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)ethanone
PubChem CID58683597
Molecular FormulaC10H18NOP
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name1-(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)ethanone
SMILESC=CCC1(C(C)=O)CCN(P)CC1
InChIInChI=1S/C10H18NOP/c1-3-4-10(9(2)12)5-7-11(13)8-6-10/h3H,1,4-8,13H2,2H3
InChIKeyNVQWHBBDFQTWMX-UHFFFAOYSA-N
XLogP2.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)ethanone (CID 58683597) is 1-(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)ethanone is C=CCC1(C(C)=O)CCN(P)CC1.
What is the InChIKey of 1-(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)ethanone?
The InChIKey is NVQWHBBDFQTWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NOP/c1-3-4-10(9(2)12)5-7-11(13)8-6-10/h3H,1,4-8,13H2,2H3.
What are the key properties of 1-(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)ethanone?
1-(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)ethanone has a molecular weight of 199.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)ethanone is sourced from PubChem (CID 58683597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).