N-dichlorophosphorylpiperidin-1-amine

C5H11Cl2N2OP — CID 19746597

IUPACN-dichlorophosphorylpiperidin-1-amine
SMILESO=P(Cl)(Cl)NN1CCCCC1
InChIInChI=1S/C5H11Cl2N2OP/c6-11(7,10)8-9-4-2-1-3-5-9/h1-5H2,(H,8,10)
InChIKeyAXOUJDUCVBKSCK-UHFFFAOYSA-N
MW217.04 g/mol
LogP2.56
Rot. Bonds2

About N-dichlorophosphorylpiperidin-1-amine

N-dichlorophosphorylpiperidin-1-amine (PubChem CID 19746597) has the molecular formula C5H11Cl2N2OP and a molecular weight of 217.04 g/mol. Its IUPAC name is N-dichlorophosphorylpiperidin-1-amine.

Molecular Properties

Compound NameN-dichlorophosphorylpiperidin-1-amine
PubChem CID19746597
Molecular FormulaC5H11Cl2N2OP
Molecular Weight217.04 g/mol
Exact Mass216.00
IUPAC NameN-dichlorophosphorylpiperidin-1-amine
SMILESO=P(Cl)(Cl)NN1CCCCC1
InChIInChI=1S/C5H11Cl2N2OP/c6-11(7,10)8-9-4-2-1-3-5-9/h1-5H2,(H,8,10)
InChIKeyAXOUJDUCVBKSCK-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.04
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-dichlorophosphorylpiperidin-1-amine?
The IUPAC name of N-dichlorophosphorylpiperidin-1-amine (CID 19746597) is N-dichlorophosphorylpiperidin-1-amine.
What is the SMILES notation for N-dichlorophosphorylpiperidin-1-amine?
The canonical SMILES for N-dichlorophosphorylpiperidin-1-amine is O=P(Cl)(Cl)NN1CCCCC1.
What is the InChIKey of N-dichlorophosphorylpiperidin-1-amine?
The InChIKey is AXOUJDUCVBKSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2N2OP/c6-11(7,10)8-9-4-2-1-3-5-9/h1-5H2,(H,8,10).
What are the key properties of N-dichlorophosphorylpiperidin-1-amine?
N-dichlorophosphorylpiperidin-1-amine has a molecular weight of 217.04 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dichlorophosphorylpiperidin-1-amine is sourced from PubChem (CID 19746597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).