4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium

C12H18N2Y-2 — CID 59718538

IUPAC4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium
SMILESCc1cc[c-]nc1.[CH2-]C1CCNCC1.[Y]
InChIInChI=1S/C6H12N.C6H6N.Y/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;/h6-7H,1-5H2;2-3,5H,1H3;/q2*-1;
InChIKeyPRYKJJXGFZYUCX-UHFFFAOYSA-N
MW279.20 g/mol
LogP2.01
Rot. Bonds

About 4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium

4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium (PubChem CID 59718538) has the molecular formula C12H18N2Y-2 and a molecular weight of 279.20 g/mol. Its IUPAC name is 4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium.

Molecular Properties

Compound Name4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium
PubChem CID59718538
Molecular FormulaC12H18N2Y-2
Molecular Weight279.20 g/mol
Exact Mass279.05
IUPAC Name4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium
SMILESCc1cc[c-]nc1.[CH2-]C1CCNCC1.[Y]
InChIInChI=1S/C6H12N.C6H6N.Y/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;/h6-7H,1-5H2;2-3,5H,1H3;/q2*-1;
InChIKeyPRYKJJXGFZYUCX-UHFFFAOYSA-N
XLogP2.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydropyridin-4-yl)-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine
CID 142068101
N-[(1Z,3Z)-3-piperidin-4-ylpenta-1,3-dienyl]methanimine
CID 142864209
ethane;(Z)-N-[(E)-2-piperidin-4-ylprop-1-enyl]pent-3-en-2-imine
CID 143841173
molecular hydrogen;N-[(1Z,3Z)-2-piperidin-4-ylpenta-1,3-dienyl]methanimine
CID 156796186
potassium 6-methyl-5-piperidin-4-yl-2H-pyridin-2-ide
CID 172287065
potassium 6-fluoro-5-piperidin-4-yl-2H-pyridin-2-ide
CID 172287186
N-[2-[1-(1,2-dihydropyridin-4-yl)ethylideneamino]ethyl]-1-piperidin-4-ylethanimine
CID 5232464
(Z)-N-[(E)-2-piperidin-4-ylprop-1-enyl]pent-3-en-2-imine
CID 143841174
5-[(4-Methylpiperidin-1-yl)methyl]-1,2-dihydropyridine
CID 144259572
(1Z,4Z)-6-ethylimino-3-methylidene-2-piperidin-4-ylhexa-1,4-dien-1-amine
CID 144263932
N-[(1Z,3Z)-2-piperidin-4-ylpenta-1,3-dienyl]methanimine
CID 156796187

Frequently Asked Questions

What is the IUPAC name of 4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium?
The IUPAC name of 4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium (CID 59718538) is 4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium.
What is the SMILES notation for 4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium?
The canonical SMILES for 4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium is Cc1cc[c-]nc1.[CH2-]C1CCNCC1.[Y].
What is the InChIKey of 4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium?
The InChIKey is PRYKJJXGFZYUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N.C6H6N.Y/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;/h6-7H,1-5H2;2-3,5H,1H3;/q2*-1;.
What are the key properties of 4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium?
4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium has a molecular weight of 279.20 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium is sourced from PubChem (CID 59718538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).