3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine

C17H21N3 — CID 114702986

IUPAC3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine
SMILESc1cc2c(cc1-n1cncc1C1CCCNC1)CCC2
InChIInChI=1S/C17H21N3/c1-3-13-6-7-16(9-14(13)4-1)20-12-19-11-17(20)15-5-2-8-18-10-15/h6-7,9,11-12,15,18H,1-5,8,10H2
InChIKeyYQIAACKXWRYRPM-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.83
Rot. Bonds2

About 3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine

3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine (PubChem CID 114702986) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine
PubChem CID114702986
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine
SMILESc1cc2c(cc1-n1cncc1C1CCCNC1)CCC2
InChIInChI=1S/C17H21N3/c1-3-13-6-7-16(9-14(13)4-1)20-12-19-11-17(20)15-5-2-8-18-10-15/h6-7,9,11-12,15,18H,1-5,8,10H2
InChIKeyYQIAACKXWRYRPM-UHFFFAOYSA-N
XLogP2.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine
CID 114702984
3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703474
3-[3-(4-bromophenyl)imidazol-4-yl]piperidine
CID 114703751
3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine
CID 114702909
3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine
CID 114702820
3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine
CID 114704028
1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716120
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile
CID 107795823
3-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]piperidine
CID 114705510
3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine
CID 114223410
1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114717611

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine (CID 114702986) is 3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine is c1cc2c(cc1-n1cncc1C1CCCNC1)CCC2.
What is the InChIKey of 3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine?
The InChIKey is YQIAACKXWRYRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-13-6-7-16(9-14(13)4-1)20-12-19-11-17(20)15-5-2-8-18-10-15/h6-7,9,11-12,15,18H,1-5,8,10H2.
What are the key properties of 3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine?
3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine has a molecular weight of 267.38 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114702986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).