6-[(4-fluorophenyl)-piperidin-1-ylmethyl]-2,3-dihydro-1H-inden-5-ol

C21H24FNO — CID 162643598

IUPAC6-[(4-fluorophenyl)-piperidin-1-ylmethyl]-2,3-dihydro-1H-inden-5-ol
SMILESOc1cc2c(cc1C(c1ccc(F)cc1)N1CCCCC1)CCC2
InChIInChI=1S/C21H24FNO/c22-18-9-7-15(8-10-18)21(23-11-2-1-3-12-23)19-13-16-5-4-6-17(16)14-20(19)24/h7-10,13-14,21,24H,1-6,11-12H2
InChIKeyNUDOUHHYOQUTRX-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.60
Rot. Bonds3

About 6-[(4-fluorophenyl)-piperidin-1-ylmethyl]-2,3-dihydro-1H-inden-5-ol

6-[(4-fluorophenyl)-piperidin-1-ylmethyl]-2,3-dihydro-1H-inden-5-ol (PubChem CID 162643598) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)-piperidin-1-ylmethyl]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name6-[(4-fluorophenyl)-piperidin-1-ylmethyl]-2,3-dihydro-1H-inden-5-ol
PubChem CID162643598
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name6-[(4-fluorophenyl)-piperidin-1-ylmethyl]-2,3-dihydro-1H-inden-5-ol
SMILESOc1cc2c(cc1C(c1ccc(F)cc1)N1CCCCC1)CCC2
InChIInChI=1S/C21H24FNO/c22-18-9-7-15(8-10-18)21(23-11-2-1-3-12-23)19-13-16-5-4-6-17(16)14-20(19)24/h7-10,13-14,21,24H,1-6,11-12H2
InChIKeyNUDOUHHYOQUTRX-UHFFFAOYSA-N
XLogP4.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

6-[(R)-(4-fluorophenyl)-[4-[(R)-(4-fluorophenyl)-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol
CID 92573449
2,4-ditert-butyl-6-[(4-fluorophenyl)-piperidin-1-ylmethyl]phenol
CID 22648340
6-[(S)-(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol
CID 92857334
1-[(2-chlorophenyl)-(4-fluorophenyl)methyl]azetidine
CID 141103100
2,3-dihydro-1H-inden-5-yl-(4-fluorophenyl)methanol
CID 61100715
2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol
CID 102355502
4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol
CID 3843964
6-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1,3-benzodioxol-5-ol
CID 680439
5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974867
1-[4,5-dihydro-1H-imidazol-2-yl-(4-fluorophenyl)methyl]piperidine
CID 82023617
1-[(2,4-difluorophenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 3946600
5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63437148

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)-piperidin-1-ylmethyl]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 6-[(4-fluorophenyl)-piperidin-1-ylmethyl]-2,3-dihydro-1H-inden-5-ol (CID 162643598) is 6-[(4-fluorophenyl)-piperidin-1-ylmethyl]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 6-[(4-fluorophenyl)-piperidin-1-ylmethyl]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 6-[(4-fluorophenyl)-piperidin-1-ylmethyl]-2,3-dihydro-1H-inden-5-ol is Oc1cc2c(cc1C(c1ccc(F)cc1)N1CCCCC1)CCC2.
What is the InChIKey of 6-[(4-fluorophenyl)-piperidin-1-ylmethyl]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is NUDOUHHYOQUTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO/c22-18-9-7-15(8-10-18)21(23-11-2-1-3-12-23)19-13-16-5-4-6-17(16)14-20(19)24/h7-10,13-14,21,24H,1-6,11-12H2.
What are the key properties of 6-[(4-fluorophenyl)-piperidin-1-ylmethyl]-2,3-dihydro-1H-inden-5-ol?
6-[(4-fluorophenyl)-piperidin-1-ylmethyl]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 325.43 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)-piperidin-1-ylmethyl]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 162643598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).