3-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]piperidine

C17H21N3O — CID 114705795

IUPAC3-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]piperidine
SMILESc1ccc2c(c1)OCCC2n1cncc1C1CCCNC1
InChIInChI=1S/C17H21N3O/c1-2-6-17-14(5-1)15(7-9-21-17)20-12-19-11-16(20)13-4-3-8-18-10-13/h1-2,5-6,11-13,15,18H,3-4,7-10H2
InChIKeyNVAZIBJROROALF-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.72
Rot. Bonds2

About 3-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]piperidine

3-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]piperidine (PubChem CID 114705795) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]piperidine
PubChem CID114705795
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name3-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]piperidine
SMILESc1ccc2c(c1)OCCC2n1cncc1C1CCCNC1
InChIInChI=1S/C17H21N3O/c1-2-6-17-14(5-1)15(7-9-21-17)20-12-19-11-16(20)13-4-3-8-18-10-13/h1-2,5-6,11-13,15,18H,3-4,7-10H2
InChIKeyNVAZIBJROROALF-UHFFFAOYSA-N
XLogP2.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-5-pyrrolidin-3-ylimidazole
CID 114720100
2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine
CID 114720098
(1R)-1-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine
CID 104942975
3-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine
CID 114706230
3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine
CID 114704110
(3R)-3-(2,3-dihydro-1-benzofuran-4-yl)piperidine
CID 96763066
1-cycloheptyl-5-pyrrolidin-3-ylimidazole
CID 114717647
N-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 66161723
3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine
CID 114704979
3-[3-(4-bromophenyl)imidazol-4-yl]piperidine
CID 114703751
N,N-dimethyl-1-(5-piperidin-3-ylimidazol-1-yl)propan-2-amine
CID 114704884
N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106624688

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]piperidine (CID 114705795) is 3-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]piperidine is c1ccc2c(c1)OCCC2n1cncc1C1CCCNC1.
What is the InChIKey of 3-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]piperidine?
The InChIKey is NVAZIBJROROALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-6-17-14(5-1)15(7-9-21-17)20-12-19-11-16(20)13-4-3-8-18-10-13/h1-2,5-6,11-13,15,18H,3-4,7-10H2.
What are the key properties of 3-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]piperidine?
3-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]piperidine has a molecular weight of 283.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114705795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).