(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol

C18H26FNO3 — CID 110145948

IUPAC(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol
SMILESC[C@]1(O)CN(CC2CCOCC2)CC[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C18H26FNO3/c1-18(21)13-20(12-14-6-9-22-10-7-14)8-5-17(18)23-16-4-2-3-15(19)11-16/h2-4,11,14,17,21H,5-10,12-13H2,1H3/t17-,18-/m0/s1
InChIKeyUZZWOUHWHLMTTG-ROUUACIJSA-N
MW323.41 g/mol
LogP2.46
Rot. Bonds4

About (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol

(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol (PubChem CID 110145948) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol
PubChem CID110145948
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Name(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol
SMILESC[C@]1(O)CN(CC2CCOCC2)CC[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C18H26FNO3/c1-18(21)13-20(12-14-6-9-22-10-7-14)8-5-17(18)23-16-4-2-3-15(19)11-16/h2-4,11,14,17,21H,5-10,12-13H2,1H3/t17-,18-/m0/s1
InChIKeyUZZWOUHWHLMTTG-ROUUACIJSA-N
XLogP2.46
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.46
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)-3-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol?
The IUPAC name of (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol (CID 110145948) is (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol is C[C@]1(O)CN(CC2CCOCC2)CC[C@@H]1Oc1cccc(F)c1.
What is the InChIKey of (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol?
The InChIKey is UZZWOUHWHLMTTG-ROUUACIJSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-18(21)13-20(12-14-6-9-22-10-7-14)8-5-17(18)23-16-4-2-3-15(19)11-16/h2-4,11,14,17,21H,5-10,12-13H2,1H3/t17-,18-/m0/s1.
What are the key properties of (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol?
(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol has a molecular weight of 323.41 g/mol, XLogP of 2.46, 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)-3-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 110145948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).