(2S)-1,1,1-trifluoro-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol

C11H16F3N3O — CID 164631725

IUPAC(2S)-1,1,1-trifluoro-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
SMILESO[C@@H](CN1CCC(c2ccn[nH]2)CC1)C(F)(F)F
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)10(18)7-17-5-2-8(3-6-17)9-1-4-15-16-9/h1,4,8,10,18H,2-3,5-7H2,(H,15,16)/t10-/m0/s1
InChIKeyFMDDSAJLMXMMNY-JTQLQIEISA-N
MW263.26 g/mol
LogP1.51
Rot. Bonds3

About (2S)-1,1,1-trifluoro-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol

(2S)-1,1,1-trifluoro-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol (PubChem CID 164631725) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
PubChem CID164631725
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name(2S)-1,1,1-trifluoro-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
SMILESO[C@@H](CN1CCC(c2ccn[nH]2)CC1)C(F)(F)F
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)10(18)7-17-5-2-8(3-6-17)9-1-4-15-16-9/h1,4,8,10,18H,2-3,5-7H2,(H,15,16)/t10-/m0/s1
InChIKeyFMDDSAJLMXMMNY-JTQLQIEISA-N
XLogP1.51
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol (CID 164631725) is (2S)-1,1,1-trifluoro-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol is O[C@@H](CN1CCC(c2ccn[nH]2)CC1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol?
The InChIKey is FMDDSAJLMXMMNY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16F3N3O/c12-11(13,14)10(18)7-17-5-2-8(3-6-17)9-1-4-15-16-9/h1,4,8,10,18H,2-3,5-7H2,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol?
(2S)-1,1,1-trifluoro-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol has a molecular weight of 263.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 164631725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).