(1-methylpiperidin-4-ylidene)methyl N-methylmethanimidate

C9H16N2O — CID 20756964

IUPAC(1-methylpiperidin-4-ylidene)methyl N-methylmethanimidate
SMILESC/N=C/OC=C1CCN(C)CC1
InChIInChI=1S/C9H16N2O/c1-10-8-12-7-9-3-5-11(2)6-4-9/h7-8H,3-6H2,1-2H3/b10-8+
InChIKeyMWYXSRBTEGJMBF-CSKARUKUSA-N
MW168.24 g/mol
LogP1.27
Rot. Bonds2

About (1-methylpiperidin-4-ylidene)methyl N-methylmethanimidate

(1-methylpiperidin-4-ylidene)methyl N-methylmethanimidate (PubChem CID 20756964) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (1-methylpiperidin-4-ylidene)methyl N-methylmethanimidate.

Molecular Properties

Compound Name(1-methylpiperidin-4-ylidene)methyl N-methylmethanimidate
PubChem CID20756964
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(1-methylpiperidin-4-ylidene)methyl N-methylmethanimidate
SMILESC/N=C/OC=C1CCN(C)CC1
InChIInChI=1S/C9H16N2O/c1-10-8-12-7-9-3-5-11(2)6-4-9/h7-8H,3-6H2,1-2H3/b10-8+
InChIKeyMWYXSRBTEGJMBF-CSKARUKUSA-N
XLogP1.27
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (1-methylpiperidin-4-ylidene)methyl N-methylmethanimidate?
The IUPAC name of (1-methylpiperidin-4-ylidene)methyl N-methylmethanimidate (CID 20756964) is (1-methylpiperidin-4-ylidene)methyl N-methylmethanimidate.
What is the SMILES notation for (1-methylpiperidin-4-ylidene)methyl N-methylmethanimidate?
The canonical SMILES for (1-methylpiperidin-4-ylidene)methyl N-methylmethanimidate is C/N=C/OC=C1CCN(C)CC1.
What is the InChIKey of (1-methylpiperidin-4-ylidene)methyl N-methylmethanimidate?
The InChIKey is MWYXSRBTEGJMBF-CSKARUKUSA-N. The full InChI is InChI=1S/C9H16N2O/c1-10-8-12-7-9-3-5-11(2)6-4-9/h7-8H,3-6H2,1-2H3/b10-8+.
What are the key properties of (1-methylpiperidin-4-ylidene)methyl N-methylmethanimidate?
(1-methylpiperidin-4-ylidene)methyl N-methylmethanimidate has a molecular weight of 168.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-ylidene)methyl N-methylmethanimidate is sourced from PubChem (CID 20756964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).