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

C12H23N2+ — CID 3025241

IUPAC1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium
SMILESC[N+]1(C)CC=C(N2CCCCC2)CC1
InChIInChI=1S/C12H23N2/c1-14(2)10-6-12(7-11-14)13-8-4-3-5-9-13/h6H,3-5,7-11H2,1-2H3/q+1
InChIKeyAYEMZWRGUYTFPS-UHFFFAOYSA-N
MW195.33 g/mol
LogP1.84
Rot. Bonds1

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

1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium (PubChem CID 3025241) has the molecular formula C12H23N2+ and a molecular weight of 195.33 g/mol. Its IUPAC name is 1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium.

Molecular Properties

Compound Name1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium
PubChem CID3025241
Molecular FormulaC12H23N2+
Molecular Weight195.33 g/mol
Exact Mass195.19
IUPAC Name1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium
SMILESC[N+]1(C)CC=C(N2CCCCC2)CC1
InChIInChI=1S/C12H23N2/c1-14(2)10-6-12(7-11-14)13-8-4-3-5-9-13/h6H,3-5,7-11H2,1-2H3/q+1
InChIKeyAYEMZWRGUYTFPS-UHFFFAOYSA-N
XLogP1.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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?
The IUPAC name of 1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium (CID 3025241) is 1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium.
What is the SMILES notation for 1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium?
The canonical SMILES for 1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium is C[N+]1(C)CC=C(N2CCCCC2)CC1.
What is the InChIKey of 1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium?
The InChIKey is AYEMZWRGUYTFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N2/c1-14(2)10-6-12(7-11-14)13-8-4-3-5-9-13/h6H,3-5,7-11H2,1-2H3/q+1.
What are the key properties of 1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium?
1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium has a molecular weight of 195.33 g/mol, XLogP of 1.84, 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 is sourced from PubChem (CID 3025241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).