1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol

C21H29N5O — CID 134706665

IUPAC1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol
SMILESCc1cccc(N2CCC(Nc3cc(N4CCC(O)CC4)ncn3)CC2)c1
InChIInChI=1S/C21H29N5O/c1-16-3-2-4-18(13-16)25-9-5-17(6-10-25)24-20-14-21(23-15-22-20)26-11-7-19(27)8-12-26/h2-4,13-15,17,19,27H,5-12H2,1H3,(H,22,23,24)
InChIKeyRKKZWQBIGQOSPL-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.83
Rot. Bonds4

About 1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol

1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 134706665) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol
PubChem CID134706665
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol
SMILESCc1cccc(N2CCC(Nc3cc(N4CCC(O)CC4)ncn3)CC2)c1
InChIInChI=1S/C21H29N5O/c1-16-3-2-4-18(13-16)25-9-5-17(6-10-25)24-20-14-21(23-15-22-20)26-11-7-19(27)8-12-26/h2-4,13-15,17,19,27H,5-12H2,1H3,(H,22,23,24)
InChIKeyRKKZWQBIGQOSPL-UHFFFAOYSA-N
XLogP2.83
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol with MolForge

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Related Compounds

1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
CID 115265259
N-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112869024
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 53174516
N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112854724
ethane;1-(3-methylphenyl)pyrrolidin-3-ol
CID 168922938
6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
CID 167900008
[1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 115265154
1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol
CID 66569760
N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112855879
2-fluoro-4-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile
CID 171997060
N-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884796
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol (CID 134706665) is 1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol is Cc1cccc(N2CCC(Nc3cc(N4CCC(O)CC4)ncn3)CC2)c1.
What is the InChIKey of 1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is RKKZWQBIGQOSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-16-3-2-4-18(13-16)25-9-5-17(6-10-25)24-20-14-21(23-15-22-20)26-11-7-19(27)8-12-26/h2-4,13-15,17,19,27H,5-12H2,1H3,(H,22,23,24).
What are the key properties of 1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol?
1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 367.50 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 134706665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).