2,3-dihydro-1H-indole;piperidine;pyrimidine

C17H24N4 — CID 174668037

IUPAC2,3-dihydro-1H-indole;piperidine;pyrimidine
SMILESC1CCNCC1.c1ccc2c(c1)CCN2.c1cncnc1
InChIInChI=1S/C8H9N.C5H11N.C4H4N2/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;1-2-5-4-6-3-1/h1-4,9H,5-6H2;6H,1-5H2;1-4H
InChIKeyOZTXMMPVXCFSRG-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.89
Rot. Bonds

About 2,3-dihydro-1H-indole;piperidine;pyrimidine

2,3-dihydro-1H-indole;piperidine;pyrimidine (PubChem CID 174668037) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2,3-dihydro-1H-indole;piperidine;pyrimidine.

Molecular Properties

Compound Name2,3-dihydro-1H-indole;piperidine;pyrimidine
PubChem CID174668037
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2,3-dihydro-1H-indole;piperidine;pyrimidine
SMILESC1CCNCC1.c1ccc2c(c1)CCN2.c1cncnc1
InChIInChI=1S/C8H9N.C5H11N.C4H4N2/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;1-2-5-4-6-3-1/h1-4,9H,5-6H2;6H,1-5H2;1-4H
InChIKeyOZTXMMPVXCFSRG-UHFFFAOYSA-N
XLogP2.89
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1H-indole;pyridine
CID 160958359
2,3-dihydro-1H-indole;hydrobromide
CID 18680303
2,3-dihydro-1H-indole;ethane;1H-indole;piperidine
CID 160955501
2,3,4,5-tetrahydro-1H-1-benzazepine
CID 576503
2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline
CID 159567822
2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene
CID 14892737
2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole
CID 142166123
1,2,3,4-tetrahydroquinoline;hydrobromide
CID 19771761
2,3-dihydro-1H-indole;ethanamine
CID 23296774
2,3-dihydro-1H-indole;N-methylpyridin-3-amine
CID 174844526
1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 166454859
azepane;1,2,3,4-tetrahydroisoquinoline
CID 67675496

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indole;piperidine;pyrimidine?
The IUPAC name of 2,3-dihydro-1H-indole;piperidine;pyrimidine (CID 174668037) is 2,3-dihydro-1H-indole;piperidine;pyrimidine.
What is the SMILES notation for 2,3-dihydro-1H-indole;piperidine;pyrimidine?
The canonical SMILES for 2,3-dihydro-1H-indole;piperidine;pyrimidine is C1CCNCC1.c1ccc2c(c1)CCN2.c1cncnc1.
What is the InChIKey of 2,3-dihydro-1H-indole;piperidine;pyrimidine?
The InChIKey is OZTXMMPVXCFSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C5H11N.C4H4N2/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;1-2-5-4-6-3-1/h1-4,9H,5-6H2;6H,1-5H2;1-4H.
What are the key properties of 2,3-dihydro-1H-indole;piperidine;pyrimidine?
2,3-dihydro-1H-indole;piperidine;pyrimidine has a molecular weight of 284.41 g/mol, XLogP of 2.89, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indole;piperidine;pyrimidine is sourced from PubChem (CID 174668037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).