4-(N-ethyl-C-prop-1-enylcarbonimidoyl)-1-methylpiperidine-4-carbonitrile

C13H21N3 — CID 123741566

IUPAC4-(N-ethyl-C-prop-1-enylcarbonimidoyl)-1-methylpiperidine-4-carbonitrile
SMILESCC=C/C(=N\CC)C1(C#N)CCN(C)CC1
InChIInChI=1S/C13H21N3/c1-4-6-12(15-5-2)13(11-14)7-9-16(3)10-8-13/h4,6H,5,7-10H2,1-3H3/b6-4?,15-12+
InChIKeyCGJYYXWUQXKACV-FRJASACHSA-N
MW219.33 g/mol
LogP2.26
Rot. Bonds3

About 4-(N-ethyl-C-prop-1-enylcarbonimidoyl)-1-methylpiperidine-4-carbonitrile

4-(N-ethyl-C-prop-1-enylcarbonimidoyl)-1-methylpiperidine-4-carbonitrile (PubChem CID 123741566) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(N-ethyl-C-prop-1-enylcarbonimidoyl)-1-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(N-ethyl-C-prop-1-enylcarbonimidoyl)-1-methylpiperidine-4-carbonitrile
PubChem CID123741566
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-(N-ethyl-C-prop-1-enylcarbonimidoyl)-1-methylpiperidine-4-carbonitrile
SMILESCC=C/C(=N\CC)C1(C#N)CCN(C)CC1
InChIInChI=1S/C13H21N3/c1-4-6-12(15-5-2)13(11-14)7-9-16(3)10-8-13/h4,6H,5,7-10H2,1-3H3/b6-4?,15-12+
InChIKeyCGJYYXWUQXKACV-FRJASACHSA-N
XLogP2.26
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-(N-ethyl-C-prop-1-enylcarbonimidoyl)-1-methylpiperidine-4-carbonitrile?
The IUPAC name of 4-(N-ethyl-C-prop-1-enylcarbonimidoyl)-1-methylpiperidine-4-carbonitrile (CID 123741566) is 4-(N-ethyl-C-prop-1-enylcarbonimidoyl)-1-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(N-ethyl-C-prop-1-enylcarbonimidoyl)-1-methylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(N-ethyl-C-prop-1-enylcarbonimidoyl)-1-methylpiperidine-4-carbonitrile is CC=C/C(=N\CC)C1(C#N)CCN(C)CC1.
What is the InChIKey of 4-(N-ethyl-C-prop-1-enylcarbonimidoyl)-1-methylpiperidine-4-carbonitrile?
The InChIKey is CGJYYXWUQXKACV-FRJASACHSA-N. The full InChI is InChI=1S/C13H21N3/c1-4-6-12(15-5-2)13(11-14)7-9-16(3)10-8-13/h4,6H,5,7-10H2,1-3H3/b6-4?,15-12+.
What are the key properties of 4-(N-ethyl-C-prop-1-enylcarbonimidoyl)-1-methylpiperidine-4-carbonitrile?
4-(N-ethyl-C-prop-1-enylcarbonimidoyl)-1-methylpiperidine-4-carbonitrile has a molecular weight of 219.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-C-prop-1-enylcarbonimidoyl)-1-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 123741566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).