(3S,4S)-4-(3-fluorophenoxy)-1-[(3-fluoro-2-pyridinyl)methyl]-3-methylpiperidin-3-ol

C18H20F2N2O2 — CID 110145964

IUPAC(3S,4S)-4-(3-fluorophenoxy)-1-[(3-fluoro-2-pyridinyl)methyl]-3-methylpiperidin-3-ol
SMILESC[C@]1(O)CN(Cc2ncccc2F)CC[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C18H20F2N2O2/c1-18(23)12-22(11-16-15(20)6-3-8-21-16)9-7-17(18)24-14-5-2-4-13(19)10-14/h2-6,8,10,17,23H,7,9,11-12H2,1H3/t17-,18-/m0/s1
InChIKeyRISJHDYQZQNVRV-ROUUACIJSA-N
MW334.37 g/mol
LogP2.76
Rot. Bonds4

About (3S,4S)-4-(3-fluorophenoxy)-1-[(3-fluoro-2-pyridinyl)methyl]-3-methylpiperidin-3-ol

(3S,4S)-4-(3-fluorophenoxy)-1-[(3-fluoro-2-pyridinyl)methyl]-3-methylpiperidin-3-ol (PubChem CID 110145964) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is (3S,4S)-4-(3-fluorophenoxy)-1-[(3-fluoro-2-pyridinyl)methyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(3-fluorophenoxy)-1-[(3-fluoro-2-pyridinyl)methyl]-3-methylpiperidin-3-ol
PubChem CID110145964
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name(3S,4S)-4-(3-fluorophenoxy)-1-[(3-fluoro-2-pyridinyl)methyl]-3-methylpiperidin-3-ol
SMILESC[C@]1(O)CN(Cc2ncccc2F)CC[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C18H20F2N2O2/c1-18(23)12-22(11-16-15(20)6-3-8-21-16)9-7-17(18)24-14-5-2-4-13(19)10-14/h2-6,8,10,17,23H,7,9,11-12H2,1H3/t17-,18-/m0/s1
InChIKeyRISJHDYQZQNVRV-ROUUACIJSA-N
XLogP2.76
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(3-fluorophenoxy)-1-[(3-fluoro-2-pyridinyl)methyl]-3-methylpiperidin-3-ol?
The IUPAC name of (3S,4S)-4-(3-fluorophenoxy)-1-[(3-fluoro-2-pyridinyl)methyl]-3-methylpiperidin-3-ol (CID 110145964) is (3S,4S)-4-(3-fluorophenoxy)-1-[(3-fluoro-2-pyridinyl)methyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(3-fluorophenoxy)-1-[(3-fluoro-2-pyridinyl)methyl]-3-methylpiperidin-3-ol?
The canonical SMILES for (3S,4S)-4-(3-fluorophenoxy)-1-[(3-fluoro-2-pyridinyl)methyl]-3-methylpiperidin-3-ol is C[C@]1(O)CN(Cc2ncccc2F)CC[C@@H]1Oc1cccc(F)c1.
What is the InChIKey of (3S,4S)-4-(3-fluorophenoxy)-1-[(3-fluoro-2-pyridinyl)methyl]-3-methylpiperidin-3-ol?
The InChIKey is RISJHDYQZQNVRV-ROUUACIJSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-18(23)12-22(11-16-15(20)6-3-8-21-16)9-7-17(18)24-14-5-2-4-13(19)10-14/h2-6,8,10,17,23H,7,9,11-12H2,1H3/t17-,18-/m0/s1.
What are the key properties of (3S,4S)-4-(3-fluorophenoxy)-1-[(3-fluoro-2-pyridinyl)methyl]-3-methylpiperidin-3-ol?
(3S,4S)-4-(3-fluorophenoxy)-1-[(3-fluoro-2-pyridinyl)methyl]-3-methylpiperidin-3-ol has a molecular weight of 334.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(3-fluorophenoxy)-1-[(3-fluoro-2-pyridinyl)methyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 110145964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).