3,6-dihydro-2H-pyridin-1-id-2-yl-di(piperidin-1-id-2-yl)methanol;methylmercury(1+)

C17H29HgN3O-2 — CID 5254858

IUPAC3,6-dihydro-2H-pyridin-1-id-2-yl-di(piperidin-1-id-2-yl)methanol;methylmercury(1+)
SMILESC[Hg+].OC(C1CC=CC[N-]1)(C1CCCC[N-]1)C1CCCC[N-]1
InChIInChI=1S/C16H26N3O.CH3.Hg/c20-16(13-7-1-4-10-17-13,14-8-2-5-11-18-14)15-9-3-6-12-19-15;;/h1,4,13-15,20H,2-3,5-12H2;1H3;/q-3;;+1
InChIKeyVJWVPNYWJORFEJ-UHFFFAOYSA-N
MW492.03 g/mol
LogP3.85
Rot. Bonds3

About 3,6-dihydro-2H-pyridin-1-id-2-yl-di(piperidin-1-id-2-yl)methanol;methylmercury(1+)

3,6-dihydro-2H-pyridin-1-id-2-yl-di(piperidin-1-id-2-yl)methanol;methylmercury(1+) (PubChem CID 5254858) has the molecular formula C17H29HgN3O-2 and a molecular weight of 492.03 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-id-2-yl-di(piperidin-1-id-2-yl)methanol;methylmercury(1+).

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-id-2-yl-di(piperidin-1-id-2-yl)methanol;methylmercury(1+)
PubChem CID5254858
Molecular FormulaC17H29HgN3O-2
Molecular Weight492.03 g/mol
Exact Mass493.20
IUPAC Name3,6-dihydro-2H-pyridin-1-id-2-yl-di(piperidin-1-id-2-yl)methanol;methylmercury(1+)
SMILESC[Hg+].OC(C1CC=CC[N-]1)(C1CCCC[N-]1)C1CCCC[N-]1
InChIInChI=1S/C16H26N3O.CH3.Hg/c20-16(13-7-1-4-10-17-13,14-8-2-5-11-18-14)15-9-3-6-12-19-15;;/h1,4,13-15,20H,2-3,5-12H2;1H3;/q-3;;+1
InChIKeyVJWVPNYWJORFEJ-UHFFFAOYSA-N
XLogP3.85
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.03
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

dioxidanium;di(piperidin-1-id-2-yl)-(2H-pyridin-1-id-6-yl)methanol;bis(terbium(3+));tetrakis(trifluoromethanesulfonic acid);tri(piperidin-1-id-2-yl)methanol
CID 5252116
3,6-dihydro-2H-pyridin-1-id-2-ylmethanamine;iron(2+);bis(piperidin-1-id-2-ylmethanamine)
CID 6389349
copper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide
CID 5257754
copper;2-(3,6-dihydro-2H-pyridin-1-id-2-yl)ethanamine;2-piperidin-1-id-2-ylethanamine;diisothiocyanate
CID 6394188
magnesium;2-methylpiperidin-1-ide;chloride
CID 140709501
2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 139609797
azanidacycloheptan-2-ol;carbanide;bis(rhodium)
CID 135043210
bis(dichloromanganese);N'-(3-hydroxyiminobutan-2-ylideneamino)piperidin-1-ide-2-carboximidamide;N'-(3-hydroxyiminobutan-2-ylideneamino)-2H-pyridin-1-ide-6-carboximidamide
CID 135439303
chloronickel;tetrakis(3,3-dimethylbutan-1-ol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol
CID 5242366
6-piperidin-1-id-2-yl-2H-pyridin-1-ide;tetrabromorhenium
CID 5251027
4,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene
CID 123938044
copper;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);sulfuric acid
CID 54610798

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-id-2-yl-di(piperidin-1-id-2-yl)methanol;methylmercury(1+)?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-id-2-yl-di(piperidin-1-id-2-yl)methanol;methylmercury(1+) (CID 5254858) is 3,6-dihydro-2H-pyridin-1-id-2-yl-di(piperidin-1-id-2-yl)methanol;methylmercury(1+).
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-id-2-yl-di(piperidin-1-id-2-yl)methanol;methylmercury(1+)?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-id-2-yl-di(piperidin-1-id-2-yl)methanol;methylmercury(1+) is C[Hg+].OC(C1CC=CC[N-]1)(C1CCCC[N-]1)C1CCCC[N-]1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-id-2-yl-di(piperidin-1-id-2-yl)methanol;methylmercury(1+)?
The InChIKey is VJWVPNYWJORFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N3O.CH3.Hg/c20-16(13-7-1-4-10-17-13,14-8-2-5-11-18-14)15-9-3-6-12-19-15;;/h1,4,13-15,20H,2-3,5-12H2;1H3;/q-3;;+1.
What are the key properties of 3,6-dihydro-2H-pyridin-1-id-2-yl-di(piperidin-1-id-2-yl)methanol;methylmercury(1+)?
3,6-dihydro-2H-pyridin-1-id-2-yl-di(piperidin-1-id-2-yl)methanol;methylmercury(1+) has a molecular weight of 492.03 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-id-2-yl-di(piperidin-1-id-2-yl)methanol;methylmercury(1+) is sourced from PubChem (CID 5254858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).