4-methyl-1-(9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-ol

C16H18N4O — CID 167879751

IUPAC4-methyl-1-(9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-ol
SMILESCC1CCN(c2ncnc3[nH]c4ccccc4c23)CC1O
InChIInChI=1S/C16H18N4O/c1-10-6-7-20(8-13(10)21)16-14-11-4-2-3-5-12(11)19-15(14)17-9-18-16/h2-5,9-10,13,21H,6-8H2,1H3,(H,17,18,19)
InChIKeyGVIVDUSQOWBBHC-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.32
Rot. Bonds1

About 4-methyl-1-(9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-ol

4-methyl-1-(9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-ol (PubChem CID 167879751) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-methyl-1-(9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-(9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-ol
PubChem CID167879751
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-methyl-1-(9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-ol
SMILESCC1CCN(c2ncnc3[nH]c4ccccc4c23)CC1O
InChIInChI=1S/C16H18N4O/c1-10-6-7-20(8-13(10)21)16-14-11-4-2-3-5-12(11)19-15(14)17-9-18-16/h2-5,9-10,13,21H,6-8H2,1H3,(H,17,18,19)
InChIKeyGVIVDUSQOWBBHC-UHFFFAOYSA-N
XLogP2.32
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-ol?
The IUPAC name of 4-methyl-1-(9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-ol (CID 167879751) is 4-methyl-1-(9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-(9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-ol?
The canonical SMILES for 4-methyl-1-(9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-ol is CC1CCN(c2ncnc3[nH]c4ccccc4c23)CC1O.
What is the InChIKey of 4-methyl-1-(9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-ol?
The InChIKey is GVIVDUSQOWBBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-6-7-20(8-13(10)21)16-14-11-4-2-3-5-12(11)19-15(14)17-9-18-16/h2-5,9-10,13,21H,6-8H2,1H3,(H,17,18,19).
What are the key properties of 4-methyl-1-(9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-ol?
4-methyl-1-(9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-ol has a molecular weight of 282.35 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-ol is sourced from PubChem (CID 167879751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).