[3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol

C23H27FN2O — CID 45183780

IUPAC[3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol
SMILESCn1cc(CN2CCCC(CO)(Cc3ccc(F)cc3)C2)c2ccccc21
InChIInChI=1S/C23H27FN2O/c1-25-14-19(21-5-2-3-6-22(21)25)15-26-12-4-11-23(16-26,17-27)13-18-7-9-20(24)10-8-18/h2-3,5-10,14,27H,4,11-13,15-17H2,1H3
InChIKeyGGFLDVUSYRHABS-UHFFFAOYSA-N
MW366.48 g/mol
LogP4.13
Rot. Bonds5

About [3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol

[3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol (PubChem CID 45183780) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol
PubChem CID45183780
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC Name[3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol
SMILESCn1cc(CN2CCCC(CO)(Cc3ccc(F)cc3)C2)c2ccccc21
InChIInChI=1S/C23H27FN2O/c1-25-14-19(21-5-2-3-6-22(21)25)15-26-12-4-11-23(16-26,17-27)13-18-7-9-20(24)10-8-18/h2-3,5-10,14,27H,4,11-13,15-17H2,1H3
InChIKeyGGFLDVUSYRHABS-UHFFFAOYSA-N
XLogP4.13
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 25488539
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[3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol
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[3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol
CID 45215680
[3-benzyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol
CID 45197621
[(3S)-3-benzyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanol
CID 42215033
4-[4-[[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol
CID 45177304
4-[[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 122034615
[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 26392732
[3-[(4-fluorophenyl)methyl]-1-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]piperidin-3-yl]methanol
CID 56711317
[(3R)-3-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanol
CID 29002228
[3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol (CID 45183780) is [3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol is Cn1cc(CN2CCCC(CO)(Cc3ccc(F)cc3)C2)c2ccccc21.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is GGFLDVUSYRHABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O/c1-25-14-19(21-5-2-3-6-22(21)25)15-26-12-4-11-23(16-26,17-27)13-18-7-9-20(24)10-8-18/h2-3,5-10,14,27H,4,11-13,15-17H2,1H3.
What are the key properties of [3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol?
[3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 366.48 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 45183780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).