1-piperidin-1-ylethanimine

C7H14N2 — CID 15794557

IUPAC1-piperidin-1-ylethanimine
SMILES[H]/N=C(\C)N1CCCCC1
InChIInChI=1S/C7H14N2/c1-7(8)9-5-3-2-4-6-9/h8H,2-6H2,1H3/b8-7+
InChIKeySHPVKLYHXZHYNJ-BQYQJAHWSA-N
MW126.20 g/mol
LogP1.47
Rot. Bonds

About 1-piperidin-1-ylethanimine

1-piperidin-1-ylethanimine (PubChem CID 15794557) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-piperidin-1-ylethanimine.

Molecular Properties

Compound Name1-piperidin-1-ylethanimine
PubChem CID15794557
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1-piperidin-1-ylethanimine
SMILES[H]/N=C(\C)N1CCCCC1
InChIInChI=1S/C7H14N2/c1-7(8)9-5-3-2-4-6-9/h8H,2-6H2,1H3/b8-7+
InChIKeySHPVKLYHXZHYNJ-BQYQJAHWSA-N
XLogP1.47
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.47
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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Related Compounds

1-Methylpiperidin-2-imine
CID 12449028
1-(Piperidin-1-yl)methanimine
CID 13215353
1-Piperidineethanimidamide
CID 24703049
1-(Trifluoromethyl)piperidin-2-imine
CID 56991411
1-(4-Fluoropiperidin-1-yl)ethan-1-imine
CID 59020781
1-(2,2,2-Trifluoroethanimidoyl)piperidin-2-imine
CID 147439403
6-Fluoro-1-propanimidoylpiperidin-2-imine
CID 155700518
N,N-diethylpentanimidamide
CID 45277197
N,N-dibutylpentanimidamide
CID 177896123
1-(2,2,2-Trifluoroethyl)piperidin-2-imine
CID 61523382
1-(2,2-Difluoroethyl)piperidin-2-imine
CID 115407539
1-(2-Fluoroethyl)piperidin-2-imine
CID 130504141

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylethanimine?
The IUPAC name of 1-piperidin-1-ylethanimine (CID 15794557) is 1-piperidin-1-ylethanimine.
What is the SMILES notation for 1-piperidin-1-ylethanimine?
The canonical SMILES for 1-piperidin-1-ylethanimine is [H]/N=C(\C)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylethanimine?
The InChIKey is SHPVKLYHXZHYNJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(8)9-5-3-2-4-6-9/h8H,2-6H2,1H3/b8-7+.
What are the key properties of 1-piperidin-1-ylethanimine?
1-piperidin-1-ylethanimine has a molecular weight of 126.20 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylethanimine is sourced from PubChem (CID 15794557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).