N-[bis(chloromethyl)phosphoryl]piperidin-1-amine

C7H15Cl2N2OP — CID 117061750

IUPACN-[bis(chloromethyl)phosphoryl]piperidin-1-amine
SMILESO=P(CCl)(CCl)NN1CCCCC1
InChIInChI=1S/C7H15Cl2N2OP/c8-6-13(12,7-9)10-11-4-2-1-3-5-11/h1-7H2,(H,10,12)
InChIKeyWTXBSRJEWHONSC-UHFFFAOYSA-N
MW245.09 g/mol
LogP2.65
Rot. Bonds4

About N-[bis(chloromethyl)phosphoryl]piperidin-1-amine

N-[bis(chloromethyl)phosphoryl]piperidin-1-amine (PubChem CID 117061750) has the molecular formula C7H15Cl2N2OP and a molecular weight of 245.09 g/mol. Its IUPAC name is N-[bis(chloromethyl)phosphoryl]piperidin-1-amine.

Molecular Properties

Compound NameN-[bis(chloromethyl)phosphoryl]piperidin-1-amine
PubChem CID117061750
Molecular FormulaC7H15Cl2N2OP
Molecular Weight245.09 g/mol
Exact Mass244.03
IUPAC NameN-[bis(chloromethyl)phosphoryl]piperidin-1-amine
SMILESO=P(CCl)(CCl)NN1CCCCC1
InChIInChI=1S/C7H15Cl2N2OP/c8-6-13(12,7-9)10-11-4-2-1-3-5-11/h1-7H2,(H,10,12)
InChIKeyWTXBSRJEWHONSC-UHFFFAOYSA-N
XLogP2.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[bis(chloromethyl)phosphoryl]piperidin-1-amine?
The IUPAC name of N-[bis(chloromethyl)phosphoryl]piperidin-1-amine (CID 117061750) is N-[bis(chloromethyl)phosphoryl]piperidin-1-amine.
What is the SMILES notation for N-[bis(chloromethyl)phosphoryl]piperidin-1-amine?
The canonical SMILES for N-[bis(chloromethyl)phosphoryl]piperidin-1-amine is O=P(CCl)(CCl)NN1CCCCC1.
What is the InChIKey of N-[bis(chloromethyl)phosphoryl]piperidin-1-amine?
The InChIKey is WTXBSRJEWHONSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15Cl2N2OP/c8-6-13(12,7-9)10-11-4-2-1-3-5-11/h1-7H2,(H,10,12).
What are the key properties of N-[bis(chloromethyl)phosphoryl]piperidin-1-amine?
N-[bis(chloromethyl)phosphoryl]piperidin-1-amine has a molecular weight of 245.09 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(chloromethyl)phosphoryl]piperidin-1-amine is sourced from PubChem (CID 117061750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).