1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride

C11H20ClN2O+ — CID 87285066

IUPAC1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride
SMILESO=C(Cl)[N+]1(N2CCCCC2)CCCCC1
InChIInChI=1S/C11H20ClN2O/c12-11(15)14(9-5-2-6-10-14)13-7-3-1-4-8-13/h1-10H2/q+1
InChIKeyDUSYOWPTMXNKKL-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.75
Rot. Bonds1

About 1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride

1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride (PubChem CID 87285066) has the molecular formula C11H20ClN2O+ and a molecular weight of 231.75 g/mol. Its IUPAC name is 1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride.

Molecular Properties

Compound Name1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride
PubChem CID87285066
Molecular FormulaC11H20ClN2O+
Molecular Weight231.75 g/mol
Exact Mass231.13
IUPAC Name1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride
SMILESO=C(Cl)[N+]1(N2CCCCC2)CCCCC1
InChIInChI=1S/C11H20ClN2O/c12-11(15)14(9-5-2-6-10-14)13-7-3-1-4-8-13/h1-10H2/q+1
InChIKeyDUSYOWPTMXNKKL-UHFFFAOYSA-N
XLogP2.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride?
The IUPAC name of 1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride (CID 87285066) is 1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride.
What is the SMILES notation for 1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride?
The canonical SMILES for 1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride is O=C(Cl)[N+]1(N2CCCCC2)CCCCC1.
What is the InChIKey of 1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride?
The InChIKey is DUSYOWPTMXNKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN2O/c12-11(15)14(9-5-2-6-10-14)13-7-3-1-4-8-13/h1-10H2/q+1.
What are the key properties of 1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride?
1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride has a molecular weight of 231.75 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride is sourced from PubChem (CID 87285066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).