(1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol

C20H28N4O — CID 97069243

IUPAC(1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol
SMILESCc1cc(N2CCC(N(C)C[C@H](O)c3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C20H28N4O/c1-15-13-20(22-16(2)21-15)24-11-9-18(10-12-24)23(3)14-19(25)17-7-5-4-6-8-17/h4-8,13,18-19,25H,9-12,14H2,1-3H3/t19-/m0/s1
InChIKeyHQLWVGWUYFUMBJ-IBGZPJMESA-N
MW340.47 g/mol
LogP2.73
Rot. Bonds5

About (1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol

(1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol (PubChem CID 97069243) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol
PubChem CID97069243
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol
SMILESCc1cc(N2CCC(N(C)C[C@H](O)c3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C20H28N4O/c1-15-13-20(22-16(2)21-15)24-11-9-18(10-12-24)23(3)14-19(25)17-7-5-4-6-8-17/h4-8,13,18-19,25H,9-12,14H2,1-3H3/t19-/m0/s1
InChIKeyHQLWVGWUYFUMBJ-IBGZPJMESA-N
XLogP2.73
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol with MolForge

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Related Compounds

3-[[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylpropan-1-ol
CID 72857742
(1S)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol
CID 100838546
(1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol
CID 95764452
2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol
CID 111543569
2-[methyl-[1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-4-yl]amino]-1-phenylethanol
CID 126462955
3-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119954156
(1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol
CID 95314204
1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine
CID 97004691
1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine
CID 71863166
2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
CID 16805641
1-(3-chlorophenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 111476797
2-[methyl-(1-methylpiperidin-3-yl)amino]-1-phenylethanol
CID 62547685

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol (CID 97069243) is (1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol is Cc1cc(N2CCC(N(C)C[C@H](O)c3ccccc3)CC2)nc(C)n1.
What is the InChIKey of (1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol?
The InChIKey is HQLWVGWUYFUMBJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H28N4O/c1-15-13-20(22-16(2)21-15)24-11-9-18(10-12-24)23(3)14-19(25)17-7-5-4-6-8-17/h4-8,13,18-19,25H,9-12,14H2,1-3H3/t19-/m0/s1.
What are the key properties of (1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol?
(1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol has a molecular weight of 340.47 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol is sourced from PubChem (CID 97069243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).