3-phenyl-N-[(3R)-piperidin-3-yl]prop-2-en-1-imine

C14H18N2 — CID 155784037

IUPAC3-phenyl-N-[(3R)-piperidin-3-yl]prop-2-en-1-imine
SMILESC(=Cc1ccccc1)/C=N/[C@@H]1CCCNC1
InChIInChI=1S/C14H18N2/c1-2-6-13(7-3-1)8-4-11-16-14-9-5-10-15-12-14/h1-4,6-8,11,14-15H,5,9-10,12H2/b8-4?,16-11+/t14-/m1/s1
InChIKeyOSWXTMXIQRUEQU-MNRFWMOGSA-N
MW214.31 g/mol
LogP2.52
Rot. Bonds3

About 3-phenyl-N-[(3R)-piperidin-3-yl]prop-2-en-1-imine

3-phenyl-N-[(3R)-piperidin-3-yl]prop-2-en-1-imine (PubChem CID 155784037) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-phenyl-N-[(3R)-piperidin-3-yl]prop-2-en-1-imine.

Molecular Properties

Compound Name3-phenyl-N-[(3R)-piperidin-3-yl]prop-2-en-1-imine
PubChem CID155784037
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-phenyl-N-[(3R)-piperidin-3-yl]prop-2-en-1-imine
SMILESC(=Cc1ccccc1)/C=N/[C@@H]1CCCNC1
InChIInChI=1S/C14H18N2/c1-2-6-13(7-3-1)8-4-11-16-14-9-5-10-15-12-14/h1-4,6-8,11,14-15H,5,9-10,12H2/b8-4?,16-11+/t14-/m1/s1
InChIKeyOSWXTMXIQRUEQU-MNRFWMOGSA-N
XLogP2.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.52
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 3-phenyl-N-[(3R)-piperidin-3-yl]prop-2-en-1-imine?
The IUPAC name of 3-phenyl-N-[(3R)-piperidin-3-yl]prop-2-en-1-imine (CID 155784037) is 3-phenyl-N-[(3R)-piperidin-3-yl]prop-2-en-1-imine.
What is the SMILES notation for 3-phenyl-N-[(3R)-piperidin-3-yl]prop-2-en-1-imine?
The canonical SMILES for 3-phenyl-N-[(3R)-piperidin-3-yl]prop-2-en-1-imine is C(=Cc1ccccc1)/C=N/[C@@H]1CCCNC1.
What is the InChIKey of 3-phenyl-N-[(3R)-piperidin-3-yl]prop-2-en-1-imine?
The InChIKey is OSWXTMXIQRUEQU-MNRFWMOGSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-6-13(7-3-1)8-4-11-16-14-9-5-10-15-12-14/h1-4,6-8,11,14-15H,5,9-10,12H2/b8-4?,16-11+/t14-/m1/s1.
What are the key properties of 3-phenyl-N-[(3R)-piperidin-3-yl]prop-2-en-1-imine?
3-phenyl-N-[(3R)-piperidin-3-yl]prop-2-en-1-imine has a molecular weight of 214.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(3R)-piperidin-3-yl]prop-2-en-1-imine is sourced from PubChem (CID 155784037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).