1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide

C13H23IN2 — CID 156630785

IUPAC1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide
SMILESC[N+]1=CC=C(N2CCCCC2)CC1(C)C.[I-]
InChIInChI=1S/C13H23N2.HI/c1-13(2)11-12(7-10-14(13)3)15-8-5-4-6-9-15;/h7,10H,4-6,8-9,11H2,1-3H3;1H/q+1;/p-1
InChIKeyKSSUSOOZDRLGOH-UHFFFAOYSA-M
MW334.25 g/mol
LogP-0.74
Rot. Bonds1

About 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide

1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide (PubChem CID 156630785) has the molecular formula C13H23IN2 and a molecular weight of 334.25 g/mol. Its IUPAC name is 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide.

Molecular Properties

Compound Name1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide
PubChem CID156630785
Molecular FormulaC13H23IN2
Molecular Weight334.25 g/mol
Exact Mass334.09
IUPAC Name1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide
SMILESC[N+]1=CC=C(N2CCCCC2)CC1(C)C.[I-]
InChIInChI=1S/C13H23N2.HI/c1-13(2)11-12(7-10-14(13)3)15-8-5-4-6-9-15;/h7,10H,4-6,8-9,11H2,1-3H3;1H/q+1;/p-1
InChIKeyKSSUSOOZDRLGOH-UHFFFAOYSA-M
XLogP-0.74
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethyl-4-piperidino-2,3-dihydropyridin
CID 137530180
N-(1,2,2-trimethyl-1,2,3,4-tetrahydropyridin-4-ylidene)pyrrolidin-1-ium iodide
CID 146657854
1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine
CID 130217430
(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
CID 142061223
ethane;(2E)-N-methyl-2-(1-methyl-3-methylidenepiperidin-2-ylidene)ethanimine
CID 143610086
5-Piperidin-1-yl-2,3-dihydropyridine;prop-1-ene
CID 143703557
N,N,3,3-tetramethyl-1-[(E)-1-methyliminopent-2-en-3-yl]piperidin-4-amine
CID 144349615
1-(2-Methyl-2,3-dihydropyridin-4-yl)-4-(2-methylpropyl)piperazine
CID 156376913
4-Tert-butyl-2-(2,3-dihydropyridin-2-yl)-1-ethylpiperazine
CID 167027583
N,N,2,2-tetramethyl-3H-pyridin-4-amine
CID 172693783
1-(2,2-dimethyl-3H-pyridin-4-yl)azepane
CID 172732301
(2E)-N-methyl-2-(1-methyl-3-methylidenepiperidin-2-ylidene)ethanimine
CID 143610087

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide?
The IUPAC name of 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide (CID 156630785) is 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide.
What is the SMILES notation for 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide?
The canonical SMILES for 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide is C[N+]1=CC=C(N2CCCCC2)CC1(C)C.[I-].
What is the InChIKey of 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide?
The InChIKey is KSSUSOOZDRLGOH-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H23N2.HI/c1-13(2)11-12(7-10-14(13)3)15-8-5-4-6-9-15;/h7,10H,4-6,8-9,11H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide?
1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide has a molecular weight of 334.25 g/mol, XLogP of -0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide is sourced from PubChem (CID 156630785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).