1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium iodide

C12H23IN2 — CID 3025240

IUPAC1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium iodide
SMILESC[N+]1(C)CC=C(N2CCCCC2)CC1.[I-]
InChIInChI=1S/C12H23N2.HI/c1-14(2)10-6-12(7-11-14)13-8-4-3-5-9-13;/h6H,3-5,7-11H2,1-2H3;1H/q+1;/p-1
InChIKeyZVWPLSBXAMQOBS-UHFFFAOYSA-M
MW322.23 g/mol
LogP-1.16
Rot. Bonds1

About 1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium iodide

1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium iodide (PubChem CID 3025240) has the molecular formula C12H23IN2 and a molecular weight of 322.23 g/mol. Its IUPAC name is 1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium iodide.

Molecular Properties

Compound Name1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium iodide
PubChem CID3025240
Molecular FormulaC12H23IN2
Molecular Weight322.23 g/mol
Exact Mass322.09
IUPAC Name1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium iodide
SMILESC[N+]1(C)CC=C(N2CCCCC2)CC1.[I-]
InChIInChI=1S/C12H23N2.HI/c1-14(2)10-6-12(7-11-14)13-8-4-3-5-9-13;/h6H,3-5,7-11H2,1-2H3;1H/q+1;/p-1
InChIKeyZVWPLSBXAMQOBS-UHFFFAOYSA-M
XLogP-1.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium iodide?
The IUPAC name of 1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium iodide (CID 3025240) is 1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium iodide.
What is the SMILES notation for 1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium iodide?
The canonical SMILES for 1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium iodide is C[N+]1(C)CC=C(N2CCCCC2)CC1.[I-].
What is the InChIKey of 1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium iodide?
The InChIKey is ZVWPLSBXAMQOBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H23N2.HI/c1-14(2)10-6-12(7-11-14)13-8-4-3-5-9-13;/h6H,3-5,7-11H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium iodide?
1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium iodide has a molecular weight of 322.23 g/mol, XLogP of -1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium iodide is sourced from PubChem (CID 3025240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).