3,4,6-trideuterio-1-(1-methylpiperidin-4-yl)-2H-pyridine

C11H18N2 — CID 175785192

IUPAC3,4,6-trideuterio-1-(1-methylpiperidin-4-yl)-2H-pyridine
SMILES[2H]C1=CC([2H])=C([2H])CN1C1CCN(C)CC1
InChIInChI=1S/C11H18N2/c1-12-9-5-11(6-10-12)13-7-3-2-4-8-13/h2-4,7,11H,5-6,8-10H2,1H3/i2D,4D,7D
InChIKeyIJEOZNQDWXROFO-BNZKOEORSA-N
MW181.30 g/mol
LogP1.47
Rot. Bonds1

About 3,4,6-trideuterio-1-(1-methylpiperidin-4-yl)-2H-pyridine

3,4,6-trideuterio-1-(1-methylpiperidin-4-yl)-2H-pyridine (PubChem CID 175785192) has the molecular formula C11H18N2 and a molecular weight of 181.30 g/mol. Its IUPAC name is 3,4,6-trideuterio-1-(1-methylpiperidin-4-yl)-2H-pyridine.

Molecular Properties

Compound Name3,4,6-trideuterio-1-(1-methylpiperidin-4-yl)-2H-pyridine
PubChem CID175785192
Molecular FormulaC11H18N2
Molecular Weight181.30 g/mol
Exact Mass181.17
IUPAC Name3,4,6-trideuterio-1-(1-methylpiperidin-4-yl)-2H-pyridine
SMILES[2H]C1=CC([2H])=C([2H])CN1C1CCN(C)CC1
InChIInChI=1S/C11H18N2/c1-12-9-5-11(6-10-12)13-7-3-2-4-8-13/h2-4,7,11H,5-6,8-10H2,1H3/i2D,4D,7D
InChIKeyIJEOZNQDWXROFO-BNZKOEORSA-N
XLogP1.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-Bis(pyridin-1-yl)pentane
CID 177860443
1-(1-Ethylpiperidin-4-yl)-3-fluoroazepine
CID 174423793
1-(2-piperidin-1-ylethyl)-2H-pyridine
CID 408055
1-(1-methylpiperidin-4-yl)-2H-pyridine
CID 18335516
1-piperidin-4-yl-2H-pyridin-4-amine
CID 19068126
1-[(3E)-penta-1,3-dien-3-yl]piperidine
CID 22149549
1-(2-methylpiperidin-1-yl)-2H-pyridine
CID 23192698
1-piperidin-1-yl-2H-pyridine
CID 57097056
1-[(1Z,3Z)-4-isocyanopenta-1,3-dienyl]piperidine
CID 59886144
1-cyclohexyl-2H-pyridine
CID 70123462
(1E,3Z)-2-[4-(dimethylamino)piperidin-1-yl]hexa-1,3,5-triene-1,5-diamine
CID 87688619
1-[(3Z)-penta-1,3-dien-2-yl]piperidine
CID 88379736

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trideuterio-1-(1-methylpiperidin-4-yl)-2H-pyridine?
The IUPAC name of 3,4,6-trideuterio-1-(1-methylpiperidin-4-yl)-2H-pyridine (CID 175785192) is 3,4,6-trideuterio-1-(1-methylpiperidin-4-yl)-2H-pyridine.
What is the SMILES notation for 3,4,6-trideuterio-1-(1-methylpiperidin-4-yl)-2H-pyridine?
The canonical SMILES for 3,4,6-trideuterio-1-(1-methylpiperidin-4-yl)-2H-pyridine is [2H]C1=CC([2H])=C([2H])CN1C1CCN(C)CC1.
What is the InChIKey of 3,4,6-trideuterio-1-(1-methylpiperidin-4-yl)-2H-pyridine?
The InChIKey is IJEOZNQDWXROFO-BNZKOEORSA-N. The full InChI is InChI=1S/C11H18N2/c1-12-9-5-11(6-10-12)13-7-3-2-4-8-13/h2-4,7,11H,5-6,8-10H2,1H3/i2D,4D,7D.
What are the key properties of 3,4,6-trideuterio-1-(1-methylpiperidin-4-yl)-2H-pyridine?
3,4,6-trideuterio-1-(1-methylpiperidin-4-yl)-2H-pyridine has a molecular weight of 181.30 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trideuterio-1-(1-methylpiperidin-4-yl)-2H-pyridine is sourced from PubChem (CID 175785192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).