3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine

C21H24FNO — CID 22127415

IUPAC3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine
SMILESFc1ccc(C2CCNCC2OCc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C21H24FNO/c22-19-8-6-17(7-9-19)20-10-11-23-13-21(20)24-14-15-4-5-16-2-1-3-18(16)12-15/h4-9,12,20-21,23H,1-3,10-11,13-14H2
InChIKeyMPHKKUXSKHBKBV-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.98
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine

3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine (PubChem CID 22127415) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine
PubChem CID22127415
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine
SMILESFc1ccc(C2CCNCC2OCc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C21H24FNO/c22-19-8-6-17(7-9-19)20-10-11-23-13-21(20)24-14-15-4-5-16-2-1-3-18(16)12-15/h4-9,12,20-21,23H,1-3,10-11,13-14H2
InChIKeyMPHKKUXSKHBKBV-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine (CID 22127415) is 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine is Fc1ccc(C2CCNCC2OCc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine?
The InChIKey is MPHKKUXSKHBKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO/c22-19-8-6-17(7-9-19)20-10-11-23-13-21(20)24-14-15-4-5-16-2-1-3-18(16)12-15/h4-9,12,20-21,23H,1-3,10-11,13-14H2.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine?
3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine has a molecular weight of 325.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine is sourced from PubChem (CID 22127415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).