N-(piperidin-4-ylmethyl)but-3-en-2-imine

C10H18N2 — CID 123852038

IUPACN-(piperidin-4-ylmethyl)but-3-en-2-imine
SMILESC=C/C(C)=N/CC1CCNCC1
InChIInChI=1S/C10H18N2/c1-3-9(2)12-8-10-4-6-11-7-5-10/h3,10-11H,1,4-8H2,2H3/b12-9+
InChIKeyGTUUGOQRKFBNGM-FMIVXFBMSA-N
MW166.27 g/mol
LogP1.63
Rot. Bonds3

About N-(piperidin-4-ylmethyl)but-3-en-2-imine

N-(piperidin-4-ylmethyl)but-3-en-2-imine (PubChem CID 123852038) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)but-3-en-2-imine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)but-3-en-2-imine
PubChem CID123852038
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-(piperidin-4-ylmethyl)but-3-en-2-imine
SMILESC=C/C(C)=N/CC1CCNCC1
InChIInChI=1S/C10H18N2/c1-3-9(2)12-8-10-4-6-11-7-5-10/h3,10-11H,1,4-8H2,2H3/b12-9+
InChIKeyGTUUGOQRKFBNGM-FMIVXFBMSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.63
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-(piperidin-4-ylmethyl)but-3-en-2-imine?
The IUPAC name of N-(piperidin-4-ylmethyl)but-3-en-2-imine (CID 123852038) is N-(piperidin-4-ylmethyl)but-3-en-2-imine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)but-3-en-2-imine?
The canonical SMILES for N-(piperidin-4-ylmethyl)but-3-en-2-imine is C=C/C(C)=N/CC1CCNCC1.
What is the InChIKey of N-(piperidin-4-ylmethyl)but-3-en-2-imine?
The InChIKey is GTUUGOQRKFBNGM-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-9(2)12-8-10-4-6-11-7-5-10/h3,10-11H,1,4-8H2,2H3/b12-9+.
What are the key properties of N-(piperidin-4-ylmethyl)but-3-en-2-imine?
N-(piperidin-4-ylmethyl)but-3-en-2-imine has a molecular weight of 166.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)but-3-en-2-imine is sourced from PubChem (CID 123852038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).