(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol

C17H23F3N2O2 — CID 72858934

IUPAC(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
SMILESC[C@@H]1CN(c2cc(C(F)(F)F)ccn2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C17H23F3N2O2/c1-12-11-22(15-10-14(2-6-21-15)17(18,19)20)7-5-16(12,23)13-3-8-24-9-4-13/h2,6,10,12-13,23H,3-5,7-9,11H2,1H3/t12-,16+/m1/s1
InChIKeyIHQYJAUVIHPZMS-WBMJQRKESA-N
MW344.38 g/mol
LogP3.10
Rot. Bonds2

About (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol

(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol (PubChem CID 72858934) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
PubChem CID72858934
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
SMILESC[C@@H]1CN(c2cc(C(F)(F)F)ccn2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C17H23F3N2O2/c1-12-11-22(15-10-14(2-6-21-15)17(18,19)20)7-5-16(12,23)13-3-8-24-9-4-13/h2,6,10,12-13,23H,3-5,7-9,11H2,1H3/t12-,16+/m1/s1
InChIKeyIHQYJAUVIHPZMS-WBMJQRKESA-N
XLogP3.10
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The IUPAC name of (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol (CID 72858934) is (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol is C[C@@H]1CN(c2cc(C(F)(F)F)ccn2)CC[C@@]1(O)C1CCOCC1.
What is the InChIKey of (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The InChIKey is IHQYJAUVIHPZMS-WBMJQRKESA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-12-11-22(15-10-14(2-6-21-15)17(18,19)20)7-5-16(12,23)13-3-8-24-9-4-13/h2,6,10,12-13,23H,3-5,7-9,11H2,1H3/t12-,16+/m1/s1.
What are the key properties of (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol has a molecular weight of 344.38 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 72858934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).