1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride;hydrochloride

C11H21Cl2N2O+ — CID 87858639

IUPAC1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride;hydrochloride
SMILESCl.O=C(Cl)[N+]1(N2CCCCC2)CCCCC1
InChIInChI=1S/C11H20ClN2O.ClH/c12-11(15)14(9-5-2-6-10-14)13-7-3-1-4-8-13;/h1-10H2;1H/q+1;
InChIKeyAVUZZBVHNMMQEY-UHFFFAOYSA-N
MW268.21 g/mol
LogP3.17
Rot. Bonds1

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

1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride;hydrochloride (PubChem CID 87858639) has the molecular formula C11H21Cl2N2O+ and a molecular weight of 268.21 g/mol. Its IUPAC name is 1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride;hydrochloride.

Molecular Properties

Compound Name1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride;hydrochloride
PubChem CID87858639
Molecular FormulaC11H21Cl2N2O+
Molecular Weight268.21 g/mol
Exact Mass267.10
IUPAC Name1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride;hydrochloride
SMILESCl.O=C(Cl)[N+]1(N2CCCCC2)CCCCC1
InChIInChI=1S/C11H20ClN2O.ClH/c12-11(15)14(9-5-2-6-10-14)13-7-3-1-4-8-13;/h1-10H2;1H/q+1;
InChIKeyAVUZZBVHNMMQEY-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 53.17
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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Related Compounds

1-Chlorocarbonyl-4-piperidinopiperidine hydrochloride
CID 11637553
1-Piperidin-1-ylpiperidin-1-ium-1-carbaldehyde
CID 17952097
1-Piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride
CID 87285066
N,N-di(piperidin-1-yl)carbamoyl chloride
CID 87761932
[1,4'-Bipiperidine]-1'-carbonyl-d10 Chloride Hydrochloride
CID 131667429

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride;hydrochloride?
The IUPAC name of 1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride;hydrochloride (CID 87858639) is 1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride;hydrochloride.
What is the SMILES notation for 1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride;hydrochloride?
The canonical SMILES for 1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride;hydrochloride is Cl.O=C(Cl)[N+]1(N2CCCCC2)CCCCC1.
What is the InChIKey of 1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride;hydrochloride?
The InChIKey is AVUZZBVHNMMQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN2O.ClH/c12-11(15)14(9-5-2-6-10-14)13-7-3-1-4-8-13;/h1-10H2;1H/q+1;.
What are the key properties of 1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride;hydrochloride?
1-piperidin-1-ylpiperidin-1-ium-1-carbonyl chloride;hydrochloride has a molecular weight of 268.21 g/mol, XLogP of 3.17, 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;hydrochloride is sourced from PubChem (CID 87858639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).