formyl chloride;1-piperidin-4-ylpiperidine;hydrochloride

C11H22Cl2N2O — CID 122698877

IUPACformyl chloride;1-piperidin-4-ylpiperidine;hydrochloride
SMILESC1CCN(C2CCNCC2)CC1.Cl.O=CCl
InChIInChI=1S/C10H20N2.CHClO.ClH/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;2-1-3;/h10-11H,1-9H2;1H;1H
InChIKeyCVEUBJIEWLINAY-UHFFFAOYSA-N
MW269.22 g/mol
LogP2.06
Rot. Bonds1

About formyl chloride;1-piperidin-4-ylpiperidine;hydrochloride

formyl chloride;1-piperidin-4-ylpiperidine;hydrochloride (PubChem CID 122698877) has the molecular formula C11H22Cl2N2O and a molecular weight of 269.22 g/mol. Its IUPAC name is formyl chloride;1-piperidin-4-ylpiperidine;hydrochloride.

Molecular Properties

Compound Nameformyl chloride;1-piperidin-4-ylpiperidine;hydrochloride
PubChem CID122698877
Molecular FormulaC11H22Cl2N2O
Molecular Weight269.22 g/mol
Exact Mass268.11
IUPAC Nameformyl chloride;1-piperidin-4-ylpiperidine;hydrochloride
SMILESC1CCN(C2CCNCC2)CC1.Cl.O=CCl
InChIInChI=1S/C10H20N2.CHClO.ClH/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;2-1-3;/h10-11H,1-9H2;1H;1H
InChIKeyCVEUBJIEWLINAY-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formyl chloride;1-piperidin-4-ylpiperidine;hydrochloride?
The IUPAC name of formyl chloride;1-piperidin-4-ylpiperidine;hydrochloride (CID 122698877) is formyl chloride;1-piperidin-4-ylpiperidine;hydrochloride.
What is the SMILES notation for formyl chloride;1-piperidin-4-ylpiperidine;hydrochloride?
The canonical SMILES for formyl chloride;1-piperidin-4-ylpiperidine;hydrochloride is C1CCN(C2CCNCC2)CC1.Cl.O=CCl.
What is the InChIKey of formyl chloride;1-piperidin-4-ylpiperidine;hydrochloride?
The InChIKey is CVEUBJIEWLINAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.CHClO.ClH/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;2-1-3;/h10-11H,1-9H2;1H;1H.
What are the key properties of formyl chloride;1-piperidin-4-ylpiperidine;hydrochloride?
formyl chloride;1-piperidin-4-ylpiperidine;hydrochloride has a molecular weight of 269.22 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formyl chloride;1-piperidin-4-ylpiperidine;hydrochloride is sourced from PubChem (CID 122698877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).