[(3S)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-propan-2-ylpiperidin-3-yl]methanol

C15H24F3N3O — CID 164637019

IUPAC[(3S)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-propan-2-ylpiperidin-3-yl]methanol
SMILESCC(C)[C@@]1(CO)CCCN(Cc2cnn(C)c2C(F)(F)F)C1
InChIInChI=1S/C15H24F3N3O/c1-11(2)14(10-22)5-4-6-21(9-14)8-12-7-19-20(3)13(12)15(16,17)18/h7,11,22H,4-6,8-10H2,1-3H3/t14-/m0/s1
InChIKeyAEWXJMAQTUQESW-AWEZNQCLSA-N
MW319.37 g/mol
LogP2.67
Rot. Bonds4

About [(3S)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-propan-2-ylpiperidin-3-yl]methanol

[(3S)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-propan-2-ylpiperidin-3-yl]methanol (PubChem CID 164637019) has the molecular formula C15H24F3N3O and a molecular weight of 319.37 g/mol. Its IUPAC name is [(3S)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-propan-2-ylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-propan-2-ylpiperidin-3-yl]methanol
PubChem CID164637019
Molecular FormulaC15H24F3N3O
Molecular Weight319.37 g/mol
Exact Mass319.19
IUPAC Name[(3S)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-propan-2-ylpiperidin-3-yl]methanol
SMILESCC(C)[C@@]1(CO)CCCN(Cc2cnn(C)c2C(F)(F)F)C1
InChIInChI=1S/C15H24F3N3O/c1-11(2)14(10-22)5-4-6-21(9-14)8-12-7-19-20(3)13(12)15(16,17)18/h7,11,22H,4-6,8-10H2,1-3H3/t14-/m0/s1
InChIKeyAEWXJMAQTUQESW-AWEZNQCLSA-N
XLogP2.67
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-propan-2-ylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-propan-2-ylpiperidin-3-yl]methanol (CID 164637019) is [(3S)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-propan-2-ylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-propan-2-ylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-propan-2-ylpiperidin-3-yl]methanol is CC(C)[C@@]1(CO)CCCN(Cc2cnn(C)c2C(F)(F)F)C1.
What is the InChIKey of [(3S)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-propan-2-ylpiperidin-3-yl]methanol?
The InChIKey is AEWXJMAQTUQESW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24F3N3O/c1-11(2)14(10-22)5-4-6-21(9-14)8-12-7-19-20(3)13(12)15(16,17)18/h7,11,22H,4-6,8-10H2,1-3H3/t14-/m0/s1.
What are the key properties of [(3S)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-propan-2-ylpiperidin-3-yl]methanol?
[(3S)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-propan-2-ylpiperidin-3-yl]methanol has a molecular weight of 319.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-propan-2-ylpiperidin-3-yl]methanol is sourced from PubChem (CID 164637019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).