piperidin-1-ylmethanimine

C6H12N2 — CID 13215353

IUPACpiperidin-1-ylmethanimine
SMILES[H]/N=C/N1CCCCC1
InChIInChI=1S/C6H12N2/c7-6-8-4-2-1-3-5-8/h6-7H,1-5H2/b7-6+
InChIKeyHPYKRLQBMUPOFA-VOTSOKGWSA-N
MW112.18 g/mol
LogP1.08
Rot. Bonds1

About piperidin-1-ylmethanimine

piperidin-1-ylmethanimine (PubChem CID 13215353) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is piperidin-1-ylmethanimine.

Molecular Properties

Compound Namepiperidin-1-ylmethanimine
PubChem CID13215353
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Namepiperidin-1-ylmethanimine
SMILES[H]/N=C/N1CCCCC1
InChIInChI=1S/C6H12N2/c7-6-8-4-2-1-3-5-8/h6-7H,1-5H2/b7-6+
InChIKeyHPYKRLQBMUPOFA-VOTSOKGWSA-N
XLogP1.08
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-ylmethanimine?
The IUPAC name of piperidin-1-ylmethanimine (CID 13215353) is piperidin-1-ylmethanimine.
What is the SMILES notation for piperidin-1-ylmethanimine?
The canonical SMILES for piperidin-1-ylmethanimine is [H]/N=C/N1CCCCC1.
What is the InChIKey of piperidin-1-ylmethanimine?
The InChIKey is HPYKRLQBMUPOFA-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H12N2/c7-6-8-4-2-1-3-5-8/h6-7H,1-5H2/b7-6+.
What are the key properties of piperidin-1-ylmethanimine?
piperidin-1-ylmethanimine has a molecular weight of 112.18 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ylmethanimine is sourced from PubChem (CID 13215353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).