4-(2,3-dimethyl-2,3-dihydropyrrol-4-ylidene)piperidine

C11H18N2 — CID 90762439

IUPAC4-(2,3-dimethyl-2,3-dihydropyrrol-4-ylidene)piperidine
SMILESCC1N=CC(=C2CCNCC2)C1C
InChIInChI=1S/C11H18N2/c1-8-9(2)13-7-11(8)10-3-5-12-6-4-10/h7-9,12H,3-6H2,1-2H3
InChIKeyROPLQABCIRPGLN-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.78
Rot. Bonds

About 4-(2,3-dimethyl-2,3-dihydropyrrol-4-ylidene)piperidine

4-(2,3-dimethyl-2,3-dihydropyrrol-4-ylidene)piperidine (PubChem CID 90762439) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(2,3-dimethyl-2,3-dihydropyrrol-4-ylidene)piperidine.

Molecular Properties

Compound Name4-(2,3-dimethyl-2,3-dihydropyrrol-4-ylidene)piperidine
PubChem CID90762439
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(2,3-dimethyl-2,3-dihydropyrrol-4-ylidene)piperidine
SMILESCC1N=CC(=C2CCNCC2)C1C
InChIInChI=1S/C11H18N2/c1-8-9(2)13-7-11(8)10-3-5-12-6-4-10/h7-9,12H,3-6H2,1-2H3
InChIKeyROPLQABCIRPGLN-UHFFFAOYSA-N
XLogP1.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine
CID 89154206
(2E)-4-methyl-2-piperidin-3-ylidene-4,5-dihydro-3H-pyridine
CID 90918902
5-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91459524
2-Methyl-5-piperidin-4-yl-2,3-dihydropyridine
CID 123831605
1-(2,5-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-N-methylmethanimine
CID 130182248
2,5-Dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine
CID 135135279
5-Methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
CID 135135306
N-[(3-ethyl-5-methyl-2,3-dihydropyridin-4-yl)methyl]propan-1-amine
CID 138576724
(Z)-4-imino-3-piperidin-3-ylbut-2-en-2-amine
CID 139358391
ethane;(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine
CID 145074380
(2S)-2-methyl-5-piperidin-4-yl-2-propan-2-yl-3H-pyridine
CID 167227965
4-Imino-3-piperidin-3-ylbut-2-en-2-amine
CID 173816228

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethyl-2,3-dihydropyrrol-4-ylidene)piperidine?
The IUPAC name of 4-(2,3-dimethyl-2,3-dihydropyrrol-4-ylidene)piperidine (CID 90762439) is 4-(2,3-dimethyl-2,3-dihydropyrrol-4-ylidene)piperidine.
What is the SMILES notation for 4-(2,3-dimethyl-2,3-dihydropyrrol-4-ylidene)piperidine?
The canonical SMILES for 4-(2,3-dimethyl-2,3-dihydropyrrol-4-ylidene)piperidine is CC1N=CC(=C2CCNCC2)C1C.
What is the InChIKey of 4-(2,3-dimethyl-2,3-dihydropyrrol-4-ylidene)piperidine?
The InChIKey is ROPLQABCIRPGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-9(2)13-7-11(8)10-3-5-12-6-4-10/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 4-(2,3-dimethyl-2,3-dihydropyrrol-4-ylidene)piperidine?
4-(2,3-dimethyl-2,3-dihydropyrrol-4-ylidene)piperidine has a molecular weight of 178.28 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethyl-2,3-dihydropyrrol-4-ylidene)piperidine is sourced from PubChem (CID 90762439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).