1-[(3,5-difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol

C18H21F2N3O3 — CID 92611589

IUPAC1-[(3,5-difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol
SMILESCOc1ncc(C2(O)CCN(Cc3cc(F)cc(F)c3)CC2)c(OC)n1
InChIInChI=1S/C18H21F2N3O3/c1-25-16-15(10-21-17(22-16)26-2)18(24)3-5-23(6-4-18)11-12-7-13(19)9-14(20)8-12/h7-10,24H,3-6,11H2,1-2H3
InChIKeyCWDUTEVBXRFSJE-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.26
Rot. Bonds5

About 1-[(3,5-difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol

1-[(3,5-difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol (PubChem CID 92611589) has the molecular formula C18H21F2N3O3 and a molecular weight of 365.38 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol
PubChem CID92611589
Molecular FormulaC18H21F2N3O3
Molecular Weight365.38 g/mol
Exact Mass365.16
IUPAC Name1-[(3,5-difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol
SMILESCOc1ncc(C2(O)CCN(Cc3cc(F)cc(F)c3)CC2)c(OC)n1
InChIInChI=1S/C18H21F2N3O3/c1-25-16-15(10-21-17(22-16)26-2)18(24)3-5-23(6-4-18)11-12-7-13(19)9-14(20)8-12/h7-10,24H,3-6,11H2,1-2H3
InChIKeyCWDUTEVBXRFSJE-UHFFFAOYSA-N
XLogP2.26
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3,5-difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol with MolForge

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Related Compounds

4-[4-(5-Fluoro-4-methoxy-pyrimidin-2-yl)-piperazin-1-yl]-1-(4-fluoro-phenyl)-butan-1-ol
CID 10474783
4-(2,4-Dimethoxypyrimidin-5-yl)-1-[(2-hydroxyphenyl)methyl]piperidin-4-ol
CID 92421148
1-[(3,4-Difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol
CID 92421160
1-[(2,6-Difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol
CID 92421161
1-[(2,5-Difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol
CID 92421164
1-[(2,3-Difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol
CID 92421172
4-(2,4-Diethoxypyrimidin-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-4-ol
CID 46953483
[3-(4-Fluorobenzyl)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methanol
CID 56742573
1-[[Benzyl-(4-methoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 71917637
2,4-dimethoxy-5-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrimidine
CID 97453121
1-(2H-chromen-3-ylmethyl)-4-(2,4-diethoxypyrimidin-5-yl)piperidin-4-ol
CID 110245003
1-[(2,3-Difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol;hydrochloride
CID 118741973

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol (CID 92611589) is 1-[(3,5-difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol is COc1ncc(C2(O)CCN(Cc3cc(F)cc(F)c3)CC2)c(OC)n1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol?
The InChIKey is CWDUTEVBXRFSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O3/c1-25-16-15(10-21-17(22-16)26-2)18(24)3-5-23(6-4-18)11-12-7-13(19)9-14(20)8-12/h7-10,24H,3-6,11H2,1-2H3.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol?
1-[(3,5-difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol has a molecular weight of 365.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol is sourced from PubChem (CID 92611589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).