1-(4-methoxypyrimidin-2-yl)-4-(4-phenylphenyl)piperidin-4-ol

C22H23N3O2 — CID 139008893

IUPAC1-(4-methoxypyrimidin-2-yl)-4-(4-phenylphenyl)piperidin-4-ol
SMILESCOc1ccnc(N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)n1
InChIInChI=1S/C22H23N3O2/c1-27-20-11-14-23-21(24-20)25-15-12-22(26,13-16-25)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-11,14,26H,12-13,15-16H2,1H3
InChIKeyOJKCRKODBMBBRJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.64
Rot. Bonds4

About 1-(4-methoxypyrimidin-2-yl)-4-(4-phenylphenyl)piperidin-4-ol

1-(4-methoxypyrimidin-2-yl)-4-(4-phenylphenyl)piperidin-4-ol (PubChem CID 139008893) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)-4-(4-phenylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-2-yl)-4-(4-phenylphenyl)piperidin-4-ol
PubChem CID139008893
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-(4-methoxypyrimidin-2-yl)-4-(4-phenylphenyl)piperidin-4-ol
SMILESCOc1ccnc(N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)n1
InChIInChI=1S/C22H23N3O2/c1-27-20-11-14-23-21(24-20)25-15-12-22(26,13-16-25)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-11,14,26H,12-13,15-16H2,1H3
InChIKeyOJKCRKODBMBBRJ-UHFFFAOYSA-N
XLogP3.64
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol
CID 95811440
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-phenylmethanethione;hydrochloride
CID 22617971
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
1-(2,6-dimethoxypyrimidin-4-yl)-4-phenylpiperidin-4-ol
CID 11438445
4-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
CID 3228710
2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole
CID 126767686
4-methoxy-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 133314057
1-(4-methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 128977033
2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine
CID 154772463
trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol
CID 167811246
(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486239

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-2-yl)-4-(4-phenylphenyl)piperidin-4-ol?
The IUPAC name of 1-(4-methoxypyrimidin-2-yl)-4-(4-phenylphenyl)piperidin-4-ol (CID 139008893) is 1-(4-methoxypyrimidin-2-yl)-4-(4-phenylphenyl)piperidin-4-ol.
What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)-4-(4-phenylphenyl)piperidin-4-ol?
The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)-4-(4-phenylphenyl)piperidin-4-ol is COc1ccnc(N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)n1.
What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)-4-(4-phenylphenyl)piperidin-4-ol?
The InChIKey is OJKCRKODBMBBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-20-11-14-23-21(24-20)25-15-12-22(26,13-16-25)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-11,14,26H,12-13,15-16H2,1H3.
What are the key properties of 1-(4-methoxypyrimidin-2-yl)-4-(4-phenylphenyl)piperidin-4-ol?
1-(4-methoxypyrimidin-2-yl)-4-(4-phenylphenyl)piperidin-4-ol has a molecular weight of 361.45 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-2-yl)-4-(4-phenylphenyl)piperidin-4-ol is sourced from PubChem (CID 139008893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).