[3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol

C17H22FN3O — CID 45219253

IUPAC[3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol
SMILESOCC1(Cc2ccc(F)cc2)CCCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C17H22FN3O/c18-15-4-2-14(3-5-15)10-17(13-22)6-1-9-21(12-17)11-16-19-7-8-20-16/h2-5,7-8,22H,1,6,9-13H2,(H,19,20)
InChIKeyLJGJQMSEEVLNJO-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.37
Rot. Bonds5

About [3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol

[3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol (PubChem CID 45219253) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol
PubChem CID45219253
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name[3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol
SMILESOCC1(Cc2ccc(F)cc2)CCCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C17H22FN3O/c18-15-4-2-14(3-5-15)10-17(13-22)6-1-9-21(12-17)11-16-19-7-8-20-16/h2-5,7-8,22H,1,6,9-13H2,(H,19,20)
InChIKeyLJGJQMSEEVLNJO-UHFFFAOYSA-N
XLogP2.37
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol
CID 97134124
3-[(4-fluorophenoxy)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-ol
CID 132648969
4-[4-[[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol
CID 45177304
[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 25488539
[(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol
CID 42189124
[3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol
CID 45183780
3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol
CID 130679869
[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
[3-benzyl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]methanol
CID 45193972
[3-[(4-fluorophenyl)methyl]-1-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]methanol
CID 126808365
4-[[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 122034615
[(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol
CID 95197933

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol (CID 45219253) is [3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol is OCC1(Cc2ccc(F)cc2)CCCN(Cc2ncc[nH]2)C1.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is LJGJQMSEEVLNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c18-15-4-2-14(3-5-15)10-17(13-22)6-1-9-21(12-17)11-16-19-7-8-20-16/h2-5,7-8,22H,1,6,9-13H2,(H,19,20).
What are the key properties of [3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol?
[3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 303.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 45219253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).