N-(1-phenylethyl)piperidin-4-imine

C13H18N2 — CID 126661855

IUPACN-(1-phenylethyl)piperidin-4-imine
SMILESCC(N=C1CCNCC1)c1ccccc1
InChIInChI=1S/C13H18N2/c1-11(12-5-3-2-4-6-12)15-13-7-9-14-10-8-13/h2-6,11,14H,7-10H2,1H3
InChIKeyJBYMHTCFWOTOAB-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.57
Rot. Bonds2

About N-(1-phenylethyl)piperidin-4-imine

N-(1-phenylethyl)piperidin-4-imine (PubChem CID 126661855) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(1-phenylethyl)piperidin-4-imine.

Molecular Properties

Compound NameN-(1-phenylethyl)piperidin-4-imine
PubChem CID126661855
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-(1-phenylethyl)piperidin-4-imine
SMILESCC(N=C1CCNCC1)c1ccccc1
InChIInChI=1S/C13H18N2/c1-11(12-5-3-2-4-6-12)15-13-7-9-14-10-8-13/h2-6,11,14H,7-10H2,1H3
InChIKeyJBYMHTCFWOTOAB-UHFFFAOYSA-N
XLogP2.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
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 N-(1-phenylethyl)piperidin-4-imine?
The IUPAC name of N-(1-phenylethyl)piperidin-4-imine (CID 126661855) is N-(1-phenylethyl)piperidin-4-imine.
What is the SMILES notation for N-(1-phenylethyl)piperidin-4-imine?
The canonical SMILES for N-(1-phenylethyl)piperidin-4-imine is CC(N=C1CCNCC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)piperidin-4-imine?
The InChIKey is JBYMHTCFWOTOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-11(12-5-3-2-4-6-12)15-13-7-9-14-10-8-13/h2-6,11,14H,7-10H2,1H3.
What are the key properties of N-(1-phenylethyl)piperidin-4-imine?
N-(1-phenylethyl)piperidin-4-imine has a molecular weight of 202.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)piperidin-4-imine is sourced from PubChem (CID 126661855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).