(3S,4S)-3-(3-fluorophenoxy)-4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-ol

C18H21FN2O2 — CID 110145924

IUPAC(3S,4S)-3-(3-fluorophenoxy)-4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-ol
SMILESC[C@]1(O)CCN(Cc2ccccn2)C[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C18H21FN2O2/c1-18(22)8-10-21(12-15-6-2-3-9-20-15)13-17(18)23-16-7-4-5-14(19)11-16/h2-7,9,11,17,22H,8,10,12-13H2,1H3/t17-,18-/m0/s1
InChIKeyXFJSSLQQCIHAQR-ROUUACIJSA-N
MW316.38 g/mol
LogP2.62
Rot. Bonds4

About (3S,4S)-3-(3-fluorophenoxy)-4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-ol

(3S,4S)-3-(3-fluorophenoxy)-4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-ol (PubChem CID 110145924) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (3S,4S)-3-(3-fluorophenoxy)-4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-(3-fluorophenoxy)-4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-ol
PubChem CID110145924
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(3S,4S)-3-(3-fluorophenoxy)-4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-ol
SMILESC[C@]1(O)CCN(Cc2ccccn2)C[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C18H21FN2O2/c1-18(22)8-10-21(12-15-6-2-3-9-20-15)13-17(18)23-16-7-4-5-14(19)11-16/h2-7,9,11,17,22H,8,10,12-13H2,1H3/t17-,18-/m0/s1
InChIKeyXFJSSLQQCIHAQR-ROUUACIJSA-N
XLogP2.62
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-3-(3-fluorophenoxy)-4-methyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-ol
CID 110154887
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 110146810
N-[2-(difluoromethoxy)phenyl]-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide
CID 110162405
2-amino-1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]ethanone
CID 110146277
4-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 110145954
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-pyridazin-3-ylmethanone
CID 110146596
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 110159351
2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine
CID 126771656
(3R,4R)-4-methyl-3-phenoxy-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 110146904
(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-pyrazin-2-ylpiperidin-3-ol
CID 110146307
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide
CID 110162579
(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol
CID 110145947

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(3-fluorophenoxy)-4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-ol?
The IUPAC name of (3S,4S)-3-(3-fluorophenoxy)-4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-ol (CID 110145924) is (3S,4S)-3-(3-fluorophenoxy)-4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-ol.
What is the SMILES notation for (3S,4S)-3-(3-fluorophenoxy)-4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-ol?
The canonical SMILES for (3S,4S)-3-(3-fluorophenoxy)-4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-ol is C[C@]1(O)CCN(Cc2ccccn2)C[C@@H]1Oc1cccc(F)c1.
What is the InChIKey of (3S,4S)-3-(3-fluorophenoxy)-4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-ol?
The InChIKey is XFJSSLQQCIHAQR-ROUUACIJSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-18(22)8-10-21(12-15-6-2-3-9-20-15)13-17(18)23-16-7-4-5-14(19)11-16/h2-7,9,11,17,22H,8,10,12-13H2,1H3/t17-,18-/m0/s1.
What are the key properties of (3S,4S)-3-(3-fluorophenoxy)-4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-ol?
(3S,4S)-3-(3-fluorophenoxy)-4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-ol has a molecular weight of 316.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(3-fluorophenoxy)-4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 110145924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).