trans-(1S,2S)-2-[[1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-yl]amino]cyclohexan-1-ol

C25H31N5O — CID 118264091

IUPACtrans-(1S,2S)-2-[[1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1ccc2nc(N3CCC(N[C@H]4CCCC[C@@H]4O)CC3)c(-c3ccncn3)cc2c1
InChIInChI=1S/C25H31N5O/c1-17-6-7-21-18(14-17)15-20(22-8-11-26-16-27-22)25(29-21)30-12-9-19(10-13-30)28-23-4-2-3-5-24(23)31/h6-8,11,14-16,19,23-24,28,31H,2-5,9-10,12-13H2,1H3/t23-,24-/m0/s1
InChIKeyTZVRKACMDVUXDJ-ZEQRLZLVSA-N
MW417.56 g/mol
LogP3.86
Rot. Bonds4

About trans-(1S,2S)-2-[[1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-yl]amino]cyclohexan-1-ol

trans-(1S,2S)-2-[[1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 118264091) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-yl]amino]cyclohexan-1-ol
PubChem CID118264091
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Nametrans-(1S,2S)-2-[[1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1ccc2nc(N3CCC(N[C@H]4CCCC[C@@H]4O)CC3)c(-c3ccncn3)cc2c1
InChIInChI=1S/C25H31N5O/c1-17-6-7-21-18(14-17)15-20(22-8-11-26-16-27-22)25(29-21)30-12-9-19(10-13-30)28-23-4-2-3-5-24(23)31/h6-8,11,14-16,19,23-24,28,31H,2-5,9-10,12-13H2,1H3/t23-,24-/m0/s1
InChIKeyTZVRKACMDVUXDJ-ZEQRLZLVSA-N
XLogP3.86
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze trans-(1S,2S)-2-[[1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

N-cyclohexyl-1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-amine
CID 118264097
N-cyclohexyl-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;2-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol;1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;2-[[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol
CID 158330098
N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide
CID 118264143
N-cyclopentyl-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine
CID 129252293
[4-(cyclohexylamino)-1-[6-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-2-yl]piperidin-3-yl]methanol
CID 118263872
2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol
CID 24885451
N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide
CID 118263989
1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-3-yl)piperidin-4-amine
CID 118263793
N-cyclopentyl-1-[3-(4-iminopent-2-enimidoyl)-6-methylquinolin-2-yl]piperidin-4-amine
CID 123307719
N-cyclopentyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]-6-methylquinolin-2-yl]piperidin-4-amine
CID 118264014
1-[2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinolin-3-yl]ethanone
CID 118264059
N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine
CID 118263877

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-yl]amino]cyclohexan-1-ol (CID 118264091) is trans-(1S,2S)-2-[[1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-yl]amino]cyclohexan-1-ol is Cc1ccc2nc(N3CCC(N[C@H]4CCCC[C@@H]4O)CC3)c(-c3ccncn3)cc2c1.
What is the InChIKey of trans-(1S,2S)-2-[[1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is TZVRKACMDVUXDJ-ZEQRLZLVSA-N. The full InChI is InChI=1S/C25H31N5O/c1-17-6-7-21-18(14-17)15-20(22-8-11-26-16-27-22)25(29-21)30-12-9-19(10-13-30)28-23-4-2-3-5-24(23)31/h6-8,11,14-16,19,23-24,28,31H,2-5,9-10,12-13H2,1H3/t23-,24-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-yl]amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[[1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 417.56 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 118264091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).