ethene;phosphane;4-prop-2-enylpiperidine-4-carboxylic acid

C11H22NO2P — CID 163236365

IUPACethene;phosphane;4-prop-2-enylpiperidine-4-carboxylic acid
SMILESC=C.C=CCC1(C(=O)O)CCNCC1.P
InChIInChI=1S/C9H15NO2.C2H4.H3P/c1-2-3-9(8(11)12)4-6-10-7-5-9;1-2;/h2,10H,1,3-7H2,(H,11,12);1-2H2;1H3
InChIKeyXZYQYYZVEAOSIT-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.88
Rot. Bonds3

About ethene;phosphane;4-prop-2-enylpiperidine-4-carboxylic acid

ethene;phosphane;4-prop-2-enylpiperidine-4-carboxylic acid (PubChem CID 163236365) has the molecular formula C11H22NO2P and a molecular weight of 231.28 g/mol. Its IUPAC name is ethene;phosphane;4-prop-2-enylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Nameethene;phosphane;4-prop-2-enylpiperidine-4-carboxylic acid
PubChem CID163236365
Molecular FormulaC11H22NO2P
Molecular Weight231.28 g/mol
Exact Mass231.14
IUPAC Nameethene;phosphane;4-prop-2-enylpiperidine-4-carboxylic acid
SMILESC=C.C=CCC1(C(=O)O)CCNCC1.P
InChIInChI=1S/C9H15NO2.C2H4.H3P/c1-2-3-9(8(11)12)4-6-10-7-5-9;1-2;/h2,10H,1,3-7H2,(H,11,12);1-2H2;1H3
InChIKeyXZYQYYZVEAOSIT-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 67120670
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CID 134276044
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CID 140087031
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CID 140579396
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CID 141887480
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CID 146095129
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CID 163236372
CID 163236372

Frequently Asked Questions

What is the IUPAC name of ethene;phosphane;4-prop-2-enylpiperidine-4-carboxylic acid?
The IUPAC name of ethene;phosphane;4-prop-2-enylpiperidine-4-carboxylic acid (CID 163236365) is ethene;phosphane;4-prop-2-enylpiperidine-4-carboxylic acid.
What is the SMILES notation for ethene;phosphane;4-prop-2-enylpiperidine-4-carboxylic acid?
The canonical SMILES for ethene;phosphane;4-prop-2-enylpiperidine-4-carboxylic acid is C=C.C=CCC1(C(=O)O)CCNCC1.P.
What is the InChIKey of ethene;phosphane;4-prop-2-enylpiperidine-4-carboxylic acid?
The InChIKey is XZYQYYZVEAOSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.C2H4.H3P/c1-2-3-9(8(11)12)4-6-10-7-5-9;1-2;/h2,10H,1,3-7H2,(H,11,12);1-2H2;1H3.
What are the key properties of ethene;phosphane;4-prop-2-enylpiperidine-4-carboxylic acid?
ethene;phosphane;4-prop-2-enylpiperidine-4-carboxylic acid has a molecular weight of 231.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;phosphane;4-prop-2-enylpiperidine-4-carboxylic acid is sourced from PubChem (CID 163236365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).