[(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol

C23H25F2N3O — CID 42189124

IUPAC[(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol
SMILESOC[C@]1(Cc2ccc(F)cc2)CCCN(Cc2cnn(-c3ccccc3F)c2)C1
InChIInChI=1S/C23H25F2N3O/c24-20-8-6-18(7-9-20)12-23(17-29)10-3-11-27(16-23)14-19-13-26-28(15-19)22-5-2-1-4-21(22)25/h1-2,4-9,13,15,29H,3,10-12,14,16-17H2/t23-/m0/s1
InChIKeyCMFOUJMVEXPYGB-QHCPKHFHSA-N
MW397.47 g/mol
LogP3.97
Rot. Bonds6

About [(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol

[(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol (PubChem CID 42189124) has the molecular formula C23H25F2N3O and a molecular weight of 397.47 g/mol. Its IUPAC name is [(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol
PubChem CID42189124
Molecular FormulaC23H25F2N3O
Molecular Weight397.47 g/mol
Exact Mass397.20
IUPAC Name[(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol
SMILESOC[C@]1(Cc2ccc(F)cc2)CCCN(Cc2cnn(-c3ccccc3F)c2)C1
InChIInChI=1S/C23H25F2N3O/c24-20-8-6-18(7-9-20)12-23(17-29)10-3-11-27(16-23)14-19-13-26-28(15-19)22-5-2-1-4-21(22)25/h1-2,4-9,13,15,29H,3,10-12,14,16-17H2/t23-/m0/s1
InChIKeyCMFOUJMVEXPYGB-QHCPKHFHSA-N
XLogP3.97
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol
CID 45183780
[3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol
CID 45219253
4-[[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 122034615
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
[1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 45244979
[3-benzyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol
CID 45197621
[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-[[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 122034614
[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 26392732
2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 29212798

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol (CID 42189124) is [(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol is OC[C@]1(Cc2ccc(F)cc2)CCCN(Cc2cnn(-c3ccccc3F)c2)C1.
What is the InChIKey of [(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol?
The InChIKey is CMFOUJMVEXPYGB-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25F2N3O/c24-20-8-6-18(7-9-20)12-23(17-29)10-3-11-27(16-23)14-19-13-26-28(15-19)22-5-2-1-4-21(22)25/h1-2,4-9,13,15,29H,3,10-12,14,16-17H2/t23-/m0/s1.
What are the key properties of [(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol?
[(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol has a molecular weight of 397.47 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 42189124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).