(3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol

C14H17F2N3O — CID 94033633

IUPAC(3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2nc3ccccc3n2C(F)F)C1
InChIInChI=1S/C14H17F2N3O/c15-14(16)19-12-6-2-1-5-11(12)17-13(19)9-18-7-3-4-10(20)8-18/h1-2,5-6,10,14,20H,3-4,7-9H2/t10-/m0/s1
InChIKeyNISCGGCJRFVTMN-JTQLQIEISA-N
MW281.31 g/mol
LogP2.39
Rot. Bonds3

About (3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol

(3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol (PubChem CID 94033633) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is (3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol
PubChem CID94033633
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2nc3ccccc3n2C(F)F)C1
InChIInChI=1S/C14H17F2N3O/c15-14(16)19-12-6-2-1-5-11(12)17-13(19)9-18-7-3-4-10(20)8-18/h1-2,5-6,10,14,20H,3-4,7-9H2/t10-/m0/s1
InChIKeyNISCGGCJRFVTMN-JTQLQIEISA-N
XLogP2.39
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol 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

1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 134000947
(3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124822913
(3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol
CID 95135172
(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124807103
(3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol
CID 95378823
(3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124807222
(3R)-N-(4-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124820017
(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 124819999
[4-(4-methoxyphenyl)piperazin-1-yl]-[(3R)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124820810
2-[[4-benzyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole
CID 32753162
(4-butylpiperazin-1-yl)-[(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124822047
[4-(3,4-dimethylphenyl)piperazin-1-yl]-[(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124805083

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol (CID 94033633) is (3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol is O[C@H]1CCCN(Cc2nc3ccccc3n2C(F)F)C1.
What is the InChIKey of (3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol?
The InChIKey is NISCGGCJRFVTMN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17F2N3O/c15-14(16)19-12-6-2-1-5-11(12)17-13(19)9-18-7-3-4-10(20)8-18/h1-2,5-6,10,14,20H,3-4,7-9H2/t10-/m0/s1.
What are the key properties of (3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol?
(3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol has a molecular weight of 281.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 94033633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).