3-[[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylpropan-1-ol

C22H32N4O — CID 72857742

IUPAC3-[[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylpropan-1-ol
SMILESCCc1cc(N2CCC(N(C)CCC(O)c3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C22H32N4O/c1-4-19-16-22(24-17(2)23-19)26-14-10-20(11-15-26)25(3)13-12-21(27)18-8-6-5-7-9-18/h5-9,16,20-21,27H,4,10-15H2,1-3H3
InChIKeyJJUMVOWFDVXMGI-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.37
Rot. Bonds7

About 3-[[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylpropan-1-ol

3-[[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylpropan-1-ol (PubChem CID 72857742) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 3-[[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylpropan-1-ol
PubChem CID72857742
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name3-[[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylpropan-1-ol
SMILESCCc1cc(N2CCC(N(C)CCC(O)c3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C22H32N4O/c1-4-19-16-22(24-17(2)23-19)26-14-10-20(11-15-26)25(3)13-12-21(27)18-8-6-5-7-9-18/h5-9,16,20-21,27H,4,10-15H2,1-3H3
InChIKeyJJUMVOWFDVXMGI-UHFFFAOYSA-N
XLogP3.37
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol
CID 97069243
N-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyridazin-3-amine
CID 133460399
(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 97055767
4-benzyl-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methyl-1,4-diazepane
CID 133461463
3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
CID 62613095
4-[4-(ethoxymethyl)piperidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133460751
(1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol
CID 95314204
4-[3-(2-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133461969
4-[4-[(3-hydroxy-3-phenylpropyl)-methylamino]cyclohexyl]phenol
CID 21260460
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol
CID 62630682
2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide
CID 133461511
3-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 133460739

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylpropan-1-ol (CID 72857742) is 3-[[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylpropan-1-ol is CCc1cc(N2CCC(N(C)CCC(O)c3ccccc3)CC2)nc(C)n1.
What is the InChIKey of 3-[[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylpropan-1-ol?
The InChIKey is JJUMVOWFDVXMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-4-19-16-22(24-17(2)23-19)26-14-10-20(11-15-26)25(3)13-12-21(27)18-8-6-5-7-9-18/h5-9,16,20-21,27H,4,10-15H2,1-3H3.
What are the key properties of 3-[[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylpropan-1-ol?
3-[[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylpropan-1-ol has a molecular weight of 368.53 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 72857742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).