chloro-(4-pyrrolidin-1-ylpiperidin-1-yl)oxyphosphinic acid;hydrochloride

C9H19Cl2N2O3P — CID 175068649

IUPACchloro-(4-pyrrolidin-1-ylpiperidin-1-yl)oxyphosphinic acid;hydrochloride
SMILESCl.O=P(O)(Cl)ON1CCC(N2CCCC2)CC1
InChIInChI=1S/C9H18ClN2O3P.ClH/c10-16(13,14)15-12-7-3-9(4-8-12)11-5-1-2-6-11;/h9H,1-8H2,(H,13,14);1H
InChIKeyXOKUIXWUAFSCSV-UHFFFAOYSA-N
MW305.14 g/mol
LogP2.24
Rot. Bonds3

About chloro-(4-pyrrolidin-1-ylpiperidin-1-yl)oxyphosphinic acid;hydrochloride

chloro-(4-pyrrolidin-1-ylpiperidin-1-yl)oxyphosphinic acid;hydrochloride (PubChem CID 175068649) has the molecular formula C9H19Cl2N2O3P and a molecular weight of 305.14 g/mol. Its IUPAC name is chloro-(4-pyrrolidin-1-ylpiperidin-1-yl)oxyphosphinic acid;hydrochloride.

Molecular Properties

Compound Namechloro-(4-pyrrolidin-1-ylpiperidin-1-yl)oxyphosphinic acid;hydrochloride
PubChem CID175068649
Molecular FormulaC9H19Cl2N2O3P
Molecular Weight305.14 g/mol
Exact Mass304.05
IUPAC Namechloro-(4-pyrrolidin-1-ylpiperidin-1-yl)oxyphosphinic acid;hydrochloride
SMILESCl.O=P(O)(Cl)ON1CCC(N2CCCC2)CC1
InChIInChI=1S/C9H18ClN2O3P.ClH/c10-16(13,14)15-12-7-3-9(4-8-12)11-5-1-2-6-11;/h9H,1-8H2,(H,13,14);1H
InChIKeyXOKUIXWUAFSCSV-UHFFFAOYSA-N
XLogP2.24
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-pyrrolidin-1-ylpiperidin-1-yl)phosphonic acid
CID 142800838
(4-piperidin-1-ylpiperidin-1-yl) carbonochloridate
CID 22117404
4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 69300951
N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride
CID 87110465
1-cyclopropylpiperidine
CID 10909573
1-methanidyl-4-pyrrolidin-1-ylpiperidine
CID 20723224
1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid
CID 17369286
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
1-cyclohexylazocane
CID 23151203
N-(4-piperidin-1-ylpiperidin-1-yl)carbamoyl chloride
CID 22727518
1-methanidyl-4-piperidin-1-ylpiperidine
CID 20723188

Frequently Asked Questions

What is the IUPAC name of chloro-(4-pyrrolidin-1-ylpiperidin-1-yl)oxyphosphinic acid;hydrochloride?
The IUPAC name of chloro-(4-pyrrolidin-1-ylpiperidin-1-yl)oxyphosphinic acid;hydrochloride (CID 175068649) is chloro-(4-pyrrolidin-1-ylpiperidin-1-yl)oxyphosphinic acid;hydrochloride.
What is the SMILES notation for chloro-(4-pyrrolidin-1-ylpiperidin-1-yl)oxyphosphinic acid;hydrochloride?
The canonical SMILES for chloro-(4-pyrrolidin-1-ylpiperidin-1-yl)oxyphosphinic acid;hydrochloride is Cl.O=P(O)(Cl)ON1CCC(N2CCCC2)CC1.
What is the InChIKey of chloro-(4-pyrrolidin-1-ylpiperidin-1-yl)oxyphosphinic acid;hydrochloride?
The InChIKey is XOKUIXWUAFSCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN2O3P.ClH/c10-16(13,14)15-12-7-3-9(4-8-12)11-5-1-2-6-11;/h9H,1-8H2,(H,13,14);1H.
What are the key properties of chloro-(4-pyrrolidin-1-ylpiperidin-1-yl)oxyphosphinic acid;hydrochloride?
chloro-(4-pyrrolidin-1-ylpiperidin-1-yl)oxyphosphinic acid;hydrochloride has a molecular weight of 305.14 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(4-pyrrolidin-1-ylpiperidin-1-yl)oxyphosphinic acid;hydrochloride is sourced from PubChem (CID 175068649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).