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

C10H15F2N3O — CID 107225765

IUPAC(3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2nccn2C(F)F)C1
InChIInChI=1S/C10H15F2N3O/c11-10(12)15-5-3-13-9(15)7-14-4-1-2-8(16)6-14/h3,5,8,10,16H,1-2,4,6-7H2/t8-/m0/s1
InChIKeyJVNLAVUGHAJNEE-QMMMGPOBSA-N
MW231.25 g/mol
LogP1.23
Rot. Bonds3

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

(3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-ol (PubChem CID 107225765) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-ol
PubChem CID107225765
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name(3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2nccn2C(F)F)C1
InChIInChI=1S/C10H15F2N3O/c11-10(12)15-5-3-13-9(15)7-14-4-1-2-8(16)6-14/h3,5,8,10,16H,1-2,4,6-7H2/t8-/m0/s1
InChIKeyJVNLAVUGHAJNEE-QMMMGPOBSA-N
XLogP1.23
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-ol (CID 107225765) is (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-ol is O[C@H]1CCCN(Cc2nccn2C(F)F)C1.
What is the InChIKey of (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-ol?
The InChIKey is JVNLAVUGHAJNEE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15F2N3O/c11-10(12)15-5-3-13-9(15)7-14-4-1-2-8(16)6-14/h3,5,8,10,16H,1-2,4,6-7H2/t8-/m0/s1.
What are the key properties of (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-ol?
(3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-ol has a molecular weight of 231.25 g/mol, XLogP of 1.23, 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)imidazol-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 107225765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).