(Z)-1-(4-methylpiperidin-1-yl)but-2-en-1-imine

C10H18N2 — CID 134580112

IUPAC(Z)-1-(4-methylpiperidin-1-yl)but-2-en-1-imine
SMILES[H]/N=C(\C=C/C)N1CCC(C)CC1
InChIInChI=1S/C10H18N2/c1-3-4-10(11)12-7-5-9(2)6-8-12/h3-4,9,11H,5-8H2,1-2H3/b4-3-,11-10+
InChIKeyYCHQJKJNVFJLAX-CSWDMDPZSA-N
MW166.27 g/mol
LogP2.27
Rot. Bonds1

About (Z)-1-(4-methylpiperidin-1-yl)but-2-en-1-imine

(Z)-1-(4-methylpiperidin-1-yl)but-2-en-1-imine (PubChem CID 134580112) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (Z)-1-(4-methylpiperidin-1-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-1-(4-methylpiperidin-1-yl)but-2-en-1-imine
PubChem CID134580112
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(Z)-1-(4-methylpiperidin-1-yl)but-2-en-1-imine
SMILES[H]/N=C(\C=C/C)N1CCC(C)CC1
InChIInChI=1S/C10H18N2/c1-3-4-10(11)12-7-5-9(2)6-8-12/h3-4,9,11H,5-8H2,1-2H3/b4-3-,11-10+
InChIKeyYCHQJKJNVFJLAX-CSWDMDPZSA-N
XLogP2.27
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-methylpiperidin-1-yl)but-2-en-1-imine?
The IUPAC name of (Z)-1-(4-methylpiperidin-1-yl)but-2-en-1-imine (CID 134580112) is (Z)-1-(4-methylpiperidin-1-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-1-(4-methylpiperidin-1-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-1-(4-methylpiperidin-1-yl)but-2-en-1-imine is [H]/N=C(\C=C/C)N1CCC(C)CC1.
What is the InChIKey of (Z)-1-(4-methylpiperidin-1-yl)but-2-en-1-imine?
The InChIKey is YCHQJKJNVFJLAX-CSWDMDPZSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-4-10(11)12-7-5-9(2)6-8-12/h3-4,9,11H,5-8H2,1-2H3/b4-3-,11-10+.
What are the key properties of (Z)-1-(4-methylpiperidin-1-yl)but-2-en-1-imine?
(Z)-1-(4-methylpiperidin-1-yl)but-2-en-1-imine has a molecular weight of 166.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-methylpiperidin-1-yl)but-2-en-1-imine is sourced from PubChem (CID 134580112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).