2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol

C22H27FN2O — CID 11462371

IUPAC2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
SMILESOC(c1cccc2c1NCC2)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN2O/c23-19-6-4-16(5-7-19)9-13-25-14-10-18(11-15-25)22(26)20-3-1-2-17-8-12-24-21(17)20/h1-7,18,22,24,26H,8-15H2
InChIKeyFDYRVWHYMFPGGF-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.78
Rot. Bonds5

About 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol

2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol (PubChem CID 11462371) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
PubChem CID11462371
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
SMILESOC(c1cccc2c1NCC2)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN2O/c23-19-6-4-16(5-7-19)9-13-25-14-10-18(11-15-25)22(26)20-3-1-2-17-8-12-24-21(17)20/h1-7,18,22,24,26H,8-15H2
InChIKeyFDYRVWHYMFPGGF-UHFFFAOYSA-N
XLogP3.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol?
The IUPAC name of 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol (CID 11462371) is 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol?
The canonical SMILES for 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol is OC(c1cccc2c1NCC2)C1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol?
The InChIKey is FDYRVWHYMFPGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c23-19-6-4-16(5-7-19)9-13-25-14-10-18(11-15-25)22(26)20-3-1-2-17-8-12-24-21(17)20/h1-7,18,22,24,26H,8-15H2.
What are the key properties of 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol?
2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol has a molecular weight of 354.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 11462371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).