4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-2,6-dimethylphenol

C23H30FNO — CID 54249226

IUPAC4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-2,6-dimethylphenol
SMILESCc1cc(CC(C)N2CCC(Cc3ccc(F)cc3)CC2)cc(C)c1O
InChIInChI=1S/C23H30FNO/c1-16-12-21(13-17(2)23(16)26)14-18(3)25-10-8-20(9-11-25)15-19-4-6-22(24)7-5-19/h4-7,12-13,18,20,26H,8-11,14-15H2,1-3H3
InChIKeyPRGCCHSLGNIUQM-UHFFFAOYSA-N
MW355.50 g/mol
LogP5.03
Rot. Bonds5

About 4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-2,6-dimethylphenol

4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-2,6-dimethylphenol (PubChem CID 54249226) has the molecular formula C23H30FNO and a molecular weight of 355.50 g/mol. Its IUPAC name is 4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-2,6-dimethylphenol
PubChem CID54249226
Molecular FormulaC23H30FNO
Molecular Weight355.50 g/mol
Exact Mass355.23
IUPAC Name4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-2,6-dimethylphenol
SMILESCc1cc(CC(C)N2CCC(Cc3ccc(F)cc3)CC2)cc(C)c1O
InChIInChI=1S/C23H30FNO/c1-16-12-21(13-17(2)23(16)26)14-18(3)25-10-8-20(9-11-25)15-19-4-6-22(24)7-5-19/h4-7,12-13,18,20,26H,8-11,14-15H2,1-3H3
InChIKeyPRGCCHSLGNIUQM-UHFFFAOYSA-N
XLogP5.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.50
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751496
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl acetate
CID 174459839
1-[(2S)-1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 40514699
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-methyl-3-methylsulfonylpropan-1-one
CID 84585639
3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 119767330
1-[1-(4-fluorophenyl)propan-2-yl]-1,5-diazocane
CID 62992839
methyl N-[(2S)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 97187729
(2S)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 95301170
(2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 9430606
2-(4-benzylpiperidin-1-yl)propan-1-amine
CID 16642433
1-[1-(4-fluorophenyl)propan-2-yl]-N,4-dimethylpiperidin-4-amine
CID 114794766
4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol
CID 115496100

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-2,6-dimethylphenol?
The IUPAC name of 4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-2,6-dimethylphenol (CID 54249226) is 4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-2,6-dimethylphenol is Cc1cc(CC(C)N2CCC(Cc3ccc(F)cc3)CC2)cc(C)c1O.
What is the InChIKey of 4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-2,6-dimethylphenol?
The InChIKey is PRGCCHSLGNIUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO/c1-16-12-21(13-17(2)23(16)26)14-18(3)25-10-8-20(9-11-25)15-19-4-6-22(24)7-5-19/h4-7,12-13,18,20,26H,8-11,14-15H2,1-3H3.
What are the key properties of 4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-2,6-dimethylphenol?
4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-2,6-dimethylphenol has a molecular weight of 355.50 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-2,6-dimethylphenol is sourced from PubChem (CID 54249226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).