1-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-4-methylpiperidin-4-ol

C18H31N5O2 — CID 138033421

IUPAC1-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCOCCN1CCC(Nc2cc(N3CCC(C)(O)CC3)ncn2)CC1
InChIInChI=1S/C18H31N5O2/c1-18(24)5-9-23(10-6-18)17-13-16(19-14-20-17)21-15-3-7-22(8-4-15)11-12-25-2/h13-15,24H,3-12H2,1-2H3,(H,19,20,21)
InChIKeyIGUXJCNLSCXFNT-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.35
Rot. Bonds6

About 1-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-4-methylpiperidin-4-ol

1-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-4-methylpiperidin-4-ol (PubChem CID 138033421) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-4-methylpiperidin-4-ol
PubChem CID138033421
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name1-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCOCCN1CCC(Nc2cc(N3CCC(C)(O)CC3)ncn2)CC1
InChIInChI=1S/C18H31N5O2/c1-18(24)5-9-23(10-6-18)17-13-16(19-14-20-17)21-15-3-7-22(8-4-15)11-12-25-2/h13-15,24H,3-12H2,1-2H3,(H,19,20,21)
InChIKeyIGUXJCNLSCXFNT-UHFFFAOYSA-N
XLogP1.35
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-4-methylpiperidin-4-ol (CID 138033421) is 1-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-4-methylpiperidin-4-ol is COCCN1CCC(Nc2cc(N3CCC(C)(O)CC3)ncn2)CC1.
What is the InChIKey of 1-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The InChIKey is IGUXJCNLSCXFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-18(24)5-9-23(10-6-18)17-13-16(19-14-20-17)21-15-3-7-22(8-4-15)11-12-25-2/h13-15,24H,3-12H2,1-2H3,(H,19,20,21).
What are the key properties of 1-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-4-methylpiperidin-4-ol?
1-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-4-methylpiperidin-4-ol has a molecular weight of 349.48 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 138033421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).