2-piperidin-4-ylideneethanimine

C7H12N2 — CID 88957703

IUPAC2-piperidin-4-ylideneethanimine
SMILES[H]/N=C/C=C1CCNCC1
InChIInChI=1S/C7H12N2/c8-4-1-7-2-5-9-6-3-7/h1,4,8-9H,2-3,5-6H2/b8-4+
InChIKeyZXMCALGMRWBTID-XBXARRHUSA-N
MW124.19 g/mol
LogP0.95
Rot. Bonds1

About 2-piperidin-4-ylideneethanimine

2-piperidin-4-ylideneethanimine (PubChem CID 88957703) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-piperidin-4-ylideneethanimine.

Molecular Properties

Compound Name2-piperidin-4-ylideneethanimine
PubChem CID88957703
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-piperidin-4-ylideneethanimine
SMILES[H]/N=C/C=C1CCNCC1
InChIInChI=1S/C7H12N2/c8-4-1-7-2-5-9-6-3-7/h1,4,8-9H,2-3,5-6H2/b8-4+
InChIKeyZXMCALGMRWBTID-XBXARRHUSA-N
XLogP0.95
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylideneethanimine?
The IUPAC name of 2-piperidin-4-ylideneethanimine (CID 88957703) is 2-piperidin-4-ylideneethanimine.
What is the SMILES notation for 2-piperidin-4-ylideneethanimine?
The canonical SMILES for 2-piperidin-4-ylideneethanimine is [H]/N=C/C=C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylideneethanimine?
The InChIKey is ZXMCALGMRWBTID-XBXARRHUSA-N. The full InChI is InChI=1S/C7H12N2/c8-4-1-7-2-5-9-6-3-7/h1,4,8-9H,2-3,5-6H2/b8-4+.
What are the key properties of 2-piperidin-4-ylideneethanimine?
2-piperidin-4-ylideneethanimine has a molecular weight of 124.19 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylideneethanimine is sourced from PubChem (CID 88957703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).