4-(3-methyl-1H-pyrrol-2-yl)piperidine;pyrimidine

C14H20N4 — CID 174814204

IUPAC4-(3-methyl-1H-pyrrol-2-yl)piperidine;pyrimidine
SMILESCc1cc[nH]c1C1CCNCC1.c1cncnc1
InChIInChI=1S/C10H16N2.C4H4N2/c1-8-2-7-12-10(8)9-3-5-11-6-4-9;1-2-5-4-6-3-1/h2,7,9,11-12H,3-6H2,1H3;1-4H
InChIKeyHVBVEPPUWGUJPT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.27
Rot. Bonds1

About 4-(3-methyl-1H-pyrrol-2-yl)piperidine;pyrimidine

4-(3-methyl-1H-pyrrol-2-yl)piperidine;pyrimidine (PubChem CID 174814204) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(3-methyl-1H-pyrrol-2-yl)piperidine;pyrimidine.

Molecular Properties

Compound Name4-(3-methyl-1H-pyrrol-2-yl)piperidine;pyrimidine
PubChem CID174814204
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-(3-methyl-1H-pyrrol-2-yl)piperidine;pyrimidine
SMILESCc1cc[nH]c1C1CCNCC1.c1cncnc1
InChIInChI=1S/C10H16N2.C4H4N2/c1-8-2-7-12-10(8)9-3-5-11-6-4-9;1-2-5-4-6-3-1/h2,7,9,11-12H,3-6H2,1H3;1-4H
InChIKeyHVBVEPPUWGUJPT-UHFFFAOYSA-N
XLogP2.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyl-3-methyl-1H-pyrrole
CID 173176921
4-methyl-3-piperidin-4-yl-1H-pyridin-2-one
CID 135144921
3-methyl-4-piperidin-4-ylpyridine
CID 64985067
3-piperidin-4-ylpyridine;dihydrochloride
CID 21192973
2,3-dimethyl-1H-pyrrole;pyridine
CID 174958879
4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine
CID 22973174
4-methyl-2-piperidin-4-yl-1H-benzimidazole
CID 18761517
4-pyridin-3-ylazepane
CID 83262248
4-[(3R)-pyrrolidin-3-yl]pyrimidine
CID 129369776
3-pyrrolidin-3-ylpyridine
CID 3613651
8-methyl-2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83964857
ethane;4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyridine
CID 91131367

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1H-pyrrol-2-yl)piperidine;pyrimidine?
The IUPAC name of 4-(3-methyl-1H-pyrrol-2-yl)piperidine;pyrimidine (CID 174814204) is 4-(3-methyl-1H-pyrrol-2-yl)piperidine;pyrimidine.
What is the SMILES notation for 4-(3-methyl-1H-pyrrol-2-yl)piperidine;pyrimidine?
The canonical SMILES for 4-(3-methyl-1H-pyrrol-2-yl)piperidine;pyrimidine is Cc1cc[nH]c1C1CCNCC1.c1cncnc1.
What is the InChIKey of 4-(3-methyl-1H-pyrrol-2-yl)piperidine;pyrimidine?
The InChIKey is HVBVEPPUWGUJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C4H4N2/c1-8-2-7-12-10(8)9-3-5-11-6-4-9;1-2-5-4-6-3-1/h2,7,9,11-12H,3-6H2,1H3;1-4H.
What are the key properties of 4-(3-methyl-1H-pyrrol-2-yl)piperidine;pyrimidine?
4-(3-methyl-1H-pyrrol-2-yl)piperidine;pyrimidine has a molecular weight of 244.34 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1H-pyrrol-2-yl)piperidine;pyrimidine is sourced from PubChem (CID 174814204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).