3-methanidylpiperidine;yttrium

C6H12NY- — CID 59057892

IUPAC3-methanidylpiperidine;yttrium
SMILES[CH2-]C1CCCNC1.[Y]
InChIInChI=1S/C6H12N.Y/c1-6-3-2-4-7-5-6;/h6-7H,1-5H2;/q-1;
InChIKeyRLCGZDBKADWRAA-UHFFFAOYSA-N
MW187.07 g/mol
LogP0.82
Rot. Bonds

About 3-methanidylpiperidine;yttrium

3-methanidylpiperidine;yttrium (PubChem CID 59057892) has the molecular formula C6H12NY- and a molecular weight of 187.07 g/mol. Its IUPAC name is 3-methanidylpiperidine;yttrium.

Molecular Properties

Compound Name3-methanidylpiperidine;yttrium
PubChem CID59057892
Molecular FormulaC6H12NY-
Molecular Weight187.07 g/mol
Exact Mass187.00
IUPAC Name3-methanidylpiperidine;yttrium
SMILES[CH2-]C1CCCNC1.[Y]
InChIInChI=1S/C6H12N.Y/c1-6-3-2-4-7-5-6;/h6-7H,1-5H2;/q-1;
InChIKeyRLCGZDBKADWRAA-UHFFFAOYSA-N
XLogP0.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.07
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(azetidin-3-yl)piperidine
CID 172571282
(3S)-piperidine-3-thiol
CID 87194956
4-piperidin-3-ylcyclohexan-1-one
CID 130987031
piperidin-3-amine;hydrate
CID 90355910
(3S)-3-cyclohexylpiperidine
CID 7016473
(3R)-3-[(3R)-piperidin-3-yl]oxypiperidine
CID 142756272
3-(piperidin-3-yldisulfanyl)piperidine
CID 152589134
ethane;(3S)-3-methylpiperidine
CID 144634573
(3S)-piperidin-3-amine;hydrate
CID 90355913
piperidin-3-ol;dihydrochloride
CID 67374500
piperidine-3-thiol;hydrochloride
CID 56604780
methanidylcyclopentane
CID 91330716

Frequently Asked Questions

What is the IUPAC name of 3-methanidylpiperidine;yttrium?
The IUPAC name of 3-methanidylpiperidine;yttrium (CID 59057892) is 3-methanidylpiperidine;yttrium.
What is the SMILES notation for 3-methanidylpiperidine;yttrium?
The canonical SMILES for 3-methanidylpiperidine;yttrium is [CH2-]C1CCCNC1.[Y].
What is the InChIKey of 3-methanidylpiperidine;yttrium?
The InChIKey is RLCGZDBKADWRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N.Y/c1-6-3-2-4-7-5-6;/h6-7H,1-5H2;/q-1;.
What are the key properties of 3-methanidylpiperidine;yttrium?
3-methanidylpiperidine;yttrium has a molecular weight of 187.07 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanidylpiperidine;yttrium is sourced from PubChem (CID 59057892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).