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

C13H23N2+ — CID 156630786

IUPAC1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium
SMILESC[N+]1=CC=C(N2CCCCC2)CC1(C)C
InChIInChI=1S/C13H23N2/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/q+1
InChIKeyOLCZHCQIABKDKH-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.25
Rot. Bonds1

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

1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium (PubChem CID 156630786) has the molecular formula C13H23N2+ and a molecular weight of 207.34 g/mol. Its IUPAC name is 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium.

Molecular Properties

Compound Name1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium
PubChem CID156630786
Molecular FormulaC13H23N2+
Molecular Weight207.34 g/mol
Exact Mass207.19
IUPAC Name1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium
SMILESC[N+]1=CC=C(N2CCCCC2)CC1(C)C
InChIInChI=1S/C13H23N2/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/q+1
InChIKeyOLCZHCQIABKDKH-UHFFFAOYSA-N
XLogP2.25
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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)piperidin-1-ium iodide
CID 156630785
6-propan-2-yl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridine
CID 58229499
1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine
CID 130217430
1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine
CID 142001405
(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
CID 142061223
(Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine
CID 143506326
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
ethane;6-methyl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridine
CID 144105949
N,N,3,3-tetramethyl-1-[(E)-1-methyliminopent-2-en-3-yl]piperidin-4-amine
CID 144349615
2,2-dimethyl-4-pyrrolidin-1-yl-3H-pyridine
CID 146657807

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium?
The IUPAC name of 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium (CID 156630786) is 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium.
What is the SMILES notation for 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium?
The canonical SMILES for 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium is C[N+]1=CC=C(N2CCCCC2)CC1(C)C.
What is the InChIKey of 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium?
The InChIKey is OLCZHCQIABKDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N2/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/q+1.
What are the key properties of 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium?
1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium has a molecular weight of 207.34 g/mol, XLogP of 2.25, 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 is sourced from PubChem (CID 156630786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).