1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)piperidin-4-ol

C19H27ClN8O — CID 86616763

IUPAC1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)piperidin-4-ol
SMILESOC1CCN(c2nc3nc(N4CCNCC4)nc(N4CCCC4)c3nc2Cl)CC1
InChIInChI=1S/C19H27ClN8O/c20-15-18(27-9-3-13(29)4-10-27)23-16-14(22-15)17(26-7-1-2-8-26)25-19(24-16)28-11-5-21-6-12-28/h13,21,29H,1-12H2
InChIKeyMNZFUYGSUIGFEI-UHFFFAOYSA-N
MW418.93 g/mol
LogP1.04
Rot. Bonds3

About 1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)piperidin-4-ol

1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)piperidin-4-ol (PubChem CID 86616763) has the molecular formula C19H27ClN8O and a molecular weight of 418.93 g/mol. Its IUPAC name is 1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)piperidin-4-ol
PubChem CID86616763
Molecular FormulaC19H27ClN8O
Molecular Weight418.93 g/mol
Exact Mass418.20
IUPAC Name1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)piperidin-4-ol
SMILESOC1CCN(c2nc3nc(N4CCNCC4)nc(N4CCCC4)c3nc2Cl)CC1
InChIInChI=1S/C19H27ClN8O/c20-15-18(27-9-3-13(29)4-10-27)23-16-14(22-15)17(26-7-1-2-8-26)25-19(24-16)28-11-5-21-6-12-28/h13,21,29H,1-12H2
InChIKeyMNZFUYGSUIGFEI-UHFFFAOYSA-N
XLogP1.04
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)piperidin-4-ol?
The IUPAC name of 1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)piperidin-4-ol (CID 86616763) is 1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)piperidin-4-ol.
What is the SMILES notation for 1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)piperidin-4-ol?
The canonical SMILES for 1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)piperidin-4-ol is OC1CCN(c2nc3nc(N4CCNCC4)nc(N4CCCC4)c3nc2Cl)CC1.
What is the InChIKey of 1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)piperidin-4-ol?
The InChIKey is MNZFUYGSUIGFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN8O/c20-15-18(27-9-3-13(29)4-10-27)23-16-14(22-15)17(26-7-1-2-8-26)25-19(24-16)28-11-5-21-6-12-28/h13,21,29H,1-12H2.
What are the key properties of 1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)piperidin-4-ol?
1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)piperidin-4-ol has a molecular weight of 418.93 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)piperidin-4-ol is sourced from PubChem (CID 86616763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).