4-[2-[(3-fluorophenyl)methoxy]-3-methyl-4-pyridinyl]piperidin-4-ol

C18H21FN2O2 — CID 25263341

IUPAC4-[2-[(3-fluorophenyl)methoxy]-3-methyl-4-pyridinyl]piperidin-4-ol
SMILESCc1c(C2(O)CCNCC2)ccnc1OCc1cccc(F)c1
InChIInChI=1S/C18H21FN2O2/c1-13-16(18(22)6-9-20-10-7-18)5-8-21-17(13)23-12-14-3-2-4-15(19)11-14/h2-5,8,11,20,22H,6-7,9-10,12H2,1H3
InChIKeyMYLACLQZZKBFCS-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.68
Rot. Bonds4

About 4-[2-[(3-fluorophenyl)methoxy]-3-methyl-4-pyridinyl]piperidin-4-ol

4-[2-[(3-fluorophenyl)methoxy]-3-methyl-4-pyridinyl]piperidin-4-ol (PubChem CID 25263341) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-[2-[(3-fluorophenyl)methoxy]-3-methyl-4-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[2-[(3-fluorophenyl)methoxy]-3-methyl-4-pyridinyl]piperidin-4-ol
PubChem CID25263341
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name4-[2-[(3-fluorophenyl)methoxy]-3-methyl-4-pyridinyl]piperidin-4-ol
SMILESCc1c(C2(O)CCNCC2)ccnc1OCc1cccc(F)c1
InChIInChI=1S/C18H21FN2O2/c1-13-16(18(22)6-9-20-10-7-18)5-8-21-17(13)23-12-14-3-2-4-15(19)11-14/h2-5,8,11,20,22H,6-7,9-10,12H2,1H3
InChIKeyMYLACLQZZKBFCS-UHFFFAOYSA-N
XLogP2.68
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-fluorophenyl)methoxy]-3-methyl-4-pyridinyl]piperidin-4-ol?
The IUPAC name of 4-[2-[(3-fluorophenyl)methoxy]-3-methyl-4-pyridinyl]piperidin-4-ol (CID 25263341) is 4-[2-[(3-fluorophenyl)methoxy]-3-methyl-4-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 4-[2-[(3-fluorophenyl)methoxy]-3-methyl-4-pyridinyl]piperidin-4-ol?
The canonical SMILES for 4-[2-[(3-fluorophenyl)methoxy]-3-methyl-4-pyridinyl]piperidin-4-ol is Cc1c(C2(O)CCNCC2)ccnc1OCc1cccc(F)c1.
What is the InChIKey of 4-[2-[(3-fluorophenyl)methoxy]-3-methyl-4-pyridinyl]piperidin-4-ol?
The InChIKey is MYLACLQZZKBFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-13-16(18(22)6-9-20-10-7-18)5-8-21-17(13)23-12-14-3-2-4-15(19)11-14/h2-5,8,11,20,22H,6-7,9-10,12H2,1H3.
What are the key properties of 4-[2-[(3-fluorophenyl)methoxy]-3-methyl-4-pyridinyl]piperidin-4-ol?
4-[2-[(3-fluorophenyl)methoxy]-3-methyl-4-pyridinyl]piperidin-4-ol has a molecular weight of 316.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-fluorophenyl)methoxy]-3-methyl-4-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 25263341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).