4-(1-methylimidazol-2-yl)-1-(2-phenylpyrimidin-4-yl)piperidin-4-ol

C19H21N5O — CID 138008356

IUPAC4-(1-methylimidazol-2-yl)-1-(2-phenylpyrimidin-4-yl)piperidin-4-ol
SMILESCn1ccnc1C1(O)CCN(c2ccnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H21N5O/c1-23-14-11-21-18(23)19(25)8-12-24(13-9-19)16-7-10-20-17(22-16)15-5-3-2-4-6-15/h2-7,10-11,14,25H,8-9,12-13H2,1H3
InChIKeyXJVDJDFZNSUXJL-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.37
Rot. Bonds3

About 4-(1-methylimidazol-2-yl)-1-(2-phenylpyrimidin-4-yl)piperidin-4-ol

4-(1-methylimidazol-2-yl)-1-(2-phenylpyrimidin-4-yl)piperidin-4-ol (PubChem CID 138008356) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-1-(2-phenylpyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-1-(2-phenylpyrimidin-4-yl)piperidin-4-ol
PubChem CID138008356
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-(1-methylimidazol-2-yl)-1-(2-phenylpyrimidin-4-yl)piperidin-4-ol
SMILESCn1ccnc1C1(O)CCN(c2ccnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H21N5O/c1-23-14-11-21-18(23)19(25)8-12-24(13-9-19)16-7-10-20-17(22-16)15-5-3-2-4-6-15/h2-7,10-11,14,25H,8-9,12-13H2,1H3
InChIKeyXJVDJDFZNSUXJL-UHFFFAOYSA-N
XLogP2.37
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol
CID 138050515
[1-(4-fluorophenyl)cyclopropyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537107
(3R,4S)-1,1-dioxo-4-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]thiolan-3-ol
CID 97212363
2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 56537149
[4-[ethyl(methyl)amino]phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537250
1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-2-propan-2-yloxyethanone
CID 75463330
4-phenoxy-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 56537482
1-[(4R)-4-hydroxy-4-(1-methylimidazol-2-yl)azepan-1-yl]ethanone
CID 124952993
1-ethyl-3-[2-methyl-1-oxo-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]urea
CID 75463875
[4-(ethylsulfanylmethyl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537305
1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-4-(1-methylimidazol-2-yl)azepan-4-ol
CID 110220025
2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56537209

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)-1-(2-phenylpyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of 4-(1-methylimidazol-2-yl)-1-(2-phenylpyrimidin-4-yl)piperidin-4-ol (CID 138008356) is 4-(1-methylimidazol-2-yl)-1-(2-phenylpyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-1-(2-phenylpyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-1-(2-phenylpyrimidin-4-yl)piperidin-4-ol is Cn1ccnc1C1(O)CCN(c2ccnc(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-1-(2-phenylpyrimidin-4-yl)piperidin-4-ol?
The InChIKey is XJVDJDFZNSUXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23-14-11-21-18(23)19(25)8-12-24(13-9-19)16-7-10-20-17(22-16)15-5-3-2-4-6-15/h2-7,10-11,14,25H,8-9,12-13H2,1H3.
What are the key properties of 4-(1-methylimidazol-2-yl)-1-(2-phenylpyrimidin-4-yl)piperidin-4-ol?
4-(1-methylimidazol-2-yl)-1-(2-phenylpyrimidin-4-yl)piperidin-4-ol has a molecular weight of 335.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)-1-(2-phenylpyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 138008356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).