4-(4-Fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-YL)piperidin-4-OL

C18H22FN3O — CID 72879432

IUPAC4-(4-fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-ol
SMILESCC1=C(N=C(N=C1N2CCC(CC2)(C3=CC=C(C=C3)F)O)C)C
InChIInChI=1S/C18H22FN3O/c1-12-13(2)20-14(3)21-17(12)22-10-8-18(23,9-11-22)15-4-6-16(19)7-5-15/h4-7,23H,8-11H2,1-3H3
InChIKeyAWSNNJNIQDRNQN-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.10
Rot. Bonds2

About 4-(4-Fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-YL)piperidin-4-OL

4-(4-Fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-YL)piperidin-4-OL (PubChem CID 72879432) has the molecular formula C18H22FN3O and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-Fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-YL)piperidin-4-OL
PubChem CID72879432
Molecular FormulaC18H22FN3O
Molecular Weight315.40 g/mol
Exact Mass315.17
IUPAC Name4-(4-fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-ol
SMILESCC1=C(N=C(N=C1N2CCC(CC2)(C3=CC=C(C=C3)F)O)C)C
InChIInChI=1S/C18H22FN3O/c1-12-13(2)20-14(3)21-17(12)22-10-8-18(23,9-11-22)15-4-6-16(19)7-5-15/h4-7,23H,8-11H2,1-3H3
InChIKeyAWSNNJNIQDRNQN-UHFFFAOYSA-N
XLogP3.10
TPSA49.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity392

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Fluorophenyl)-8-(6-methyl-2-phenylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 653235
3-(4-Fluoro-phenyl)-6-(4-pyrimidin-2-yl-piperazin-1-yl)-hexan-3-ol
CID 10428490
2-(4-(4-Ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl)phenol
CID 747896
8-(4-Methylpyrimidin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 3228658
2-[4-Methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]phenol
CID 4262785
[4-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylpyrimidin-2-yl]-(4-fluorophenyl)methanol;hydrochloride
CID 52942737
4-(4-Fluorophenyl)-1-(4-methylpyrimidin-2-YL)piperidin-4-OL
CID 72851395
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide
CID 73669219
2-(4-Dibutylamino-6-methyl-pyrimidin-2-yl)-phenol
CID 1922522
4-[6-[(3-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
CID 137299148
4-[6-[(4-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
CID 137299211
4-(4-Fluorophenyl)-1-[4-(2-pyridinyl)-2-pyrimidinyl]-4-piperidinol
CID 74248880

Frequently Asked Questions

What is the IUPAC name of 4-(4-Fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-YL)piperidin-4-OL?
The IUPAC name of 4-(4-Fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-YL)piperidin-4-OL (CID 72879432) is 4-(4-fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for 4-(4-Fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-YL)piperidin-4-OL?
The canonical SMILES for 4-(4-Fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-YL)piperidin-4-OL is CC1=C(N=C(N=C1N2CCC(CC2)(C3=CC=C(C=C3)F)O)C)C.
What is the InChIKey of 4-(4-Fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-YL)piperidin-4-OL?
The InChIKey is AWSNNJNIQDRNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-12-13(2)20-14(3)21-17(12)22-10-8-18(23,9-11-22)15-4-6-16(19)7-5-15/h4-7,23H,8-11H2,1-3H3.
What are the key properties of 4-(4-Fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-YL)piperidin-4-OL?
4-(4-Fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-YL)piperidin-4-OL has a molecular weight of 315.40 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-Fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-YL)piperidin-4-OL is sourced from PubChem (CID 72879432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).