1-[2-[[(6aS,11aS)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl]oxy]ethyl]piperidine

C22H25NO3 — CID 46193969

IUPAC1-[2-[[(6aS,11aS)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl]oxy]ethyl]piperidine
SMILESc1ccc2c(c1)O[C@@H]1c3ccc(OCCN4CCCCC4)cc3OC[C@H]21
InChIInChI=1S/C22H25NO3/c1-4-10-23(11-5-1)12-13-24-16-8-9-18-21(14-16)25-15-19-17-6-2-3-7-20(17)26-22(18)19/h2-3,6-9,14,19,22H,1,4-5,10-13,15H2/t19-,22-/m1/s1
InChIKeyFUAUXKNROMCMGL-DENIHFKCSA-N
MW351.45 g/mol
LogP4.16
Rot. Bonds4

About 1-[2-[[(6aS,11aS)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl]oxy]ethyl]piperidine

1-[2-[[(6aS,11aS)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl]oxy]ethyl]piperidine (PubChem CID 46193969) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[2-[[(6aS,11aS)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl]oxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[[(6aS,11aS)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl]oxy]ethyl]piperidine
PubChem CID46193969
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name1-[2-[[(6aS,11aS)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl]oxy]ethyl]piperidine
SMILESc1ccc2c(c1)O[C@@H]1c3ccc(OCCN4CCCCC4)cc3OC[C@H]21
InChIInChI=1S/C22H25NO3/c1-4-10-23(11-5-1)12-13-24-16-8-9-18-21(14-16)25-15-19-17-6-2-3-7-20(17)26-22(18)19/h2-3,6-9,14,19,22H,1,4-5,10-13,15H2/t19-,22-/m1/s1
InChIKeyFUAUXKNROMCMGL-DENIHFKCSA-N
XLogP4.16
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-[3-(2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]phenoxy]ethyl]pyrrolidine
CID 18355523
1-[2-[4-[7-methoxy-3-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]phenoxy]ethyl]piperidine
CID 18355537
ethane;methanol;1-[2-[4-(3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl]pyrrolidine
CID 90800401
(3S,4R)-3-(4-phenylphenyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromen-7-ol
CID 20703954
1-[2-[4-[(3R,4S)-3-(2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]phenoxy]ethyl]pyrrolidine;1-[2-[4-[(3R,4S)-7-methoxy-3-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]phenoxy]ethyl]piperidine
CID 159633341
(3R,4S)-3-(2,3,4,5,6-pentafluorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromen-7-ol
CID 86757590
methanol;1-[3-[4-(3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenoxy]propyl]azepane
CID 90958030
1-[2-[4-(6-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl]pyrrolidine
CID 18355487
4-[(2R,3S,4S)-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]phenol
CID 46227281
(3S)-4-methyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine
CID 166631720
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
bis[7-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-chromen-4-yl]methanone
CID 174585250

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(6aS,11aS)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl]oxy]ethyl]piperidine?
The IUPAC name of 1-[2-[[(6aS,11aS)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl]oxy]ethyl]piperidine (CID 46193969) is 1-[2-[[(6aS,11aS)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl]oxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[[(6aS,11aS)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl]oxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[[(6aS,11aS)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl]oxy]ethyl]piperidine is c1ccc2c(c1)O[C@@H]1c3ccc(OCCN4CCCCC4)cc3OC[C@H]21.
What is the InChIKey of 1-[2-[[(6aS,11aS)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl]oxy]ethyl]piperidine?
The InChIKey is FUAUXKNROMCMGL-DENIHFKCSA-N. The full InChI is InChI=1S/C22H25NO3/c1-4-10-23(11-5-1)12-13-24-16-8-9-18-21(14-16)25-15-19-17-6-2-3-7-20(17)26-22(18)19/h2-3,6-9,14,19,22H,1,4-5,10-13,15H2/t19-,22-/m1/s1.
What are the key properties of 1-[2-[[(6aS,11aS)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl]oxy]ethyl]piperidine?
1-[2-[[(6aS,11aS)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl]oxy]ethyl]piperidine has a molecular weight of 351.45 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(6aS,11aS)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl]oxy]ethyl]piperidine is sourced from PubChem (CID 46193969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).