1-(2,3-dichlorophenoxy)-3-[(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol

C18H22Cl2N4O2 — CID 133298934

IUPAC1-(2,3-dichlorophenoxy)-3-[(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
SMILESOC(CNc1cc(N2CCCCC2)ncn1)COc1cccc(Cl)c1Cl
InChIInChI=1S/C18H22Cl2N4O2/c19-14-5-4-6-15(18(14)20)26-11-13(25)10-21-16-9-17(23-12-22-16)24-7-2-1-3-8-24/h4-6,9,12-13,25H,1-3,7-8,10-11H2,(H,21,22,23)
InChIKeyHJEQAMTVHMCKME-UHFFFAOYSA-N
MW397.31 g/mol
LogP3.63
Rot. Bonds7

About 1-(2,3-dichlorophenoxy)-3-[(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol

1-(2,3-dichlorophenoxy)-3-[(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol (PubChem CID 133298934) has the molecular formula C18H22Cl2N4O2 and a molecular weight of 397.31 g/mol. Its IUPAC name is 1-(2,3-dichlorophenoxy)-3-[(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenoxy)-3-[(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
PubChem CID133298934
Molecular FormulaC18H22Cl2N4O2
Molecular Weight397.31 g/mol
Exact Mass396.11
IUPAC Name1-(2,3-dichlorophenoxy)-3-[(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
SMILESOC(CNc1cc(N2CCCCC2)ncn1)COc1cccc(Cl)c1Cl
InChIInChI=1S/C18H22Cl2N4O2/c19-14-5-4-6-15(18(14)20)26-11-13(25)10-21-16-9-17(23-12-22-16)24-7-2-1-3-8-24/h4-6,9,12-13,25H,1-3,7-8,10-11H2,(H,21,22,23)
InChIKeyHJEQAMTVHMCKME-UHFFFAOYSA-N
XLogP3.63
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-dichlorophenoxy)-3-[(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol with MolForge

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Related Compounds

1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol
CID 133448199
(2R)-1-(2,3-dichlorophenoxy)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol
CID 10113937
2-(2,4-dichlorophenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544493
1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea
CID 94199882
2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544545
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide
CID 90544210
3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544619
1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544779
2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544473
1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544742

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenoxy)-3-[(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-(2,3-dichlorophenoxy)-3-[(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol (CID 133298934) is 1-(2,3-dichlorophenoxy)-3-[(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2,3-dichlorophenoxy)-3-[(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2,3-dichlorophenoxy)-3-[(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol is OC(CNc1cc(N2CCCCC2)ncn1)COc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenoxy)-3-[(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is HJEQAMTVHMCKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O2/c19-14-5-4-6-15(18(14)20)26-11-13(25)10-21-16-9-17(23-12-22-16)24-7-2-1-3-8-24/h4-6,9,12-13,25H,1-3,7-8,10-11H2,(H,21,22,23).
What are the key properties of 1-(2,3-dichlorophenoxy)-3-[(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol?
1-(2,3-dichlorophenoxy)-3-[(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 397.31 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenoxy)-3-[(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 133298934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).