1-phenylpiperidine;phosphenous acid

C11H16NO2P — CID 174871848

IUPAC1-phenylpiperidine;phosphenous acid
SMILESO=PO.c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C11H15N.HO2P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2/h1,3-4,7-8H,2,5-6,9-10H2;(H,1,2)
InChIKeyWGFWJONFTPNATG-UHFFFAOYSA-N
MW225.23 g/mol
LogP2.86
Rot. Bonds1

About 1-phenylpiperidine;phosphenous acid

1-phenylpiperidine;phosphenous acid (PubChem CID 174871848) has the molecular formula C11H16NO2P and a molecular weight of 225.23 g/mol. Its IUPAC name is 1-phenylpiperidine;phosphenous acid.

Molecular Properties

Compound Name1-phenylpiperidine;phosphenous acid
PubChem CID174871848
Molecular FormulaC11H16NO2P
Molecular Weight225.23 g/mol
Exact Mass225.09
IUPAC Name1-phenylpiperidine;phosphenous acid
SMILESO=PO.c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C11H15N.HO2P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2/h1,3-4,7-8H,2,5-6,9-10H2;(H,1,2)
InChIKeyWGFWJONFTPNATG-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbamic acid;1-phenylpiperidine
CID 161473217
ethane;methanol;1-phenylpiperidine
CID 177175072
1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione
CID 2200683
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
butanamide;1-phenylpiperidine
CID 174698826
methylcyclohexane;1-phenylpiperidine
CID 174582589
ethoxyethane;1-phenylpiperidine
CID 174883082
(1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol
CID 102036092
(2S)-2-amino-3-methylbutanoic acid;1-phenylpyrrolidine
CID 67230654
ethyl formate;1-phenylpiperidine
CID 174893706
3-methylbenzenesulfonic acid;1-phenylpiperidine
CID 174770364
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218

Frequently Asked Questions

What is the IUPAC name of 1-phenylpiperidine;phosphenous acid?
The IUPAC name of 1-phenylpiperidine;phosphenous acid (CID 174871848) is 1-phenylpiperidine;phosphenous acid.
What is the SMILES notation for 1-phenylpiperidine;phosphenous acid?
The canonical SMILES for 1-phenylpiperidine;phosphenous acid is O=PO.c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-phenylpiperidine;phosphenous acid?
The InChIKey is WGFWJONFTPNATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.HO2P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2/h1,3-4,7-8H,2,5-6,9-10H2;(H,1,2).
What are the key properties of 1-phenylpiperidine;phosphenous acid?
1-phenylpiperidine;phosphenous acid has a molecular weight of 225.23 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpiperidine;phosphenous acid is sourced from PubChem (CID 174871848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).