(4S)-1-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol

C14H21FN2O2 — CID 72859977

IUPAC(4S)-1-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
SMILESCOC[C@]1(O)CCN(c2ccncc2F)CC1(C)C
InChIInChI=1S/C14H21FN2O2/c1-13(2)9-17(7-5-14(13,18)10-19-3)12-4-6-16-8-11(12)15/h4,6,8,18H,5,7,9-10H2,1-3H3/t14-/m1/s1
InChIKeyPUCFRNMXHNYUBX-CQSZACIVSA-N
MW268.33 g/mol
LogP1.83
Rot. Bonds3

About (4S)-1-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol

(4S)-1-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol (PubChem CID 72859977) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is (4S)-1-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(4S)-1-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
PubChem CID72859977
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name(4S)-1-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
SMILESCOC[C@]1(O)CCN(c2ccncc2F)CC1(C)C
InChIInChI=1S/C14H21FN2O2/c1-13(2)9-17(7-5-14(13,18)10-19-3)12-4-6-16-8-11(12)15/h4,6,8,18H,5,7,9-10H2,1-3H3/t14-/m1/s1
InChIKeyPUCFRNMXHNYUBX-CQSZACIVSA-N
XLogP1.83
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
The IUPAC name of (4S)-1-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol (CID 72859977) is (4S)-1-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol.
What is the SMILES notation for (4S)-1-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
The canonical SMILES for (4S)-1-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol is COC[C@]1(O)CCN(c2ccncc2F)CC1(C)C.
What is the InChIKey of (4S)-1-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
The InChIKey is PUCFRNMXHNYUBX-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-13(2)9-17(7-5-14(13,18)10-19-3)12-4-6-16-8-11(12)15/h4,6,8,18H,5,7,9-10H2,1-3H3/t14-/m1/s1.
What are the key properties of (4S)-1-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
(4S)-1-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol has a molecular weight of 268.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol is sourced from PubChem (CID 72859977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).